N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]benzamide;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-3-phenylurea

C70H75N10O3P3S3 — CID 158152731

IUPACN-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]benzamide;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-3-phenylurea
SMILESCN(CCSP1N(c2ccccc2)CCN1c1ccccc1)C(=O)c1ccccc1.O=C(NCCSP1N(c2ccccc2)CCN1c1ccccc1)Nc1ccccc1.O=C(NCCSP1N(c2ccccc2)CCN1c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N3OPS.C23H25N4OPS.C23H24N3OPS/c1-25(24(28)21-11-5-2-6-12-21)19-20-30-29-26(22-13-7-3-8-14-22)17-18-27(29)23-15-9-4-10-16-23;28-23(25-20-10-4-1-5-11-20)24-16-19-30-29-26(21-12-6-2-7-13-21)17-18-27(29)22-14-8-3-9-15-22;27-23(20-10-4-1-5-11-20)24-16-19-29-28-25(21-12-6-2-7-13-21)17-18-26(28)22-14-8-3-9-15-22/h2-16H,17-20H2,1H3;1-15H,16-19H2,(H2,24,25,28);1-15H,16-19H2,(H,24,27)
InChIKeyFVHWPWZCSFNJPG-UHFFFAOYSA-N
MW1293.56 g/mol
LogP16.94
Rot. Bonds21

About N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]benzamide;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-3-phenylurea

N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]benzamide;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-3-phenylurea (PubChem CID 158152731) has the molecular formula C70H75N10O3P3S3 and a molecular weight of 1293.56 g/mol. Its IUPAC name is N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]benzamide;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-3-phenylurea.

Molecular Properties

Compound NameN-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]benzamide;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-3-phenylurea
PubChem CID158152731
Molecular FormulaC70H75N10O3P3S3
Molecular Weight1293.56 g/mol
Exact Mass1292.44
IUPAC NameN-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]benzamide;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-3-phenylurea
SMILESCN(CCSP1N(c2ccccc2)CCN1c1ccccc1)C(=O)c1ccccc1.O=C(NCCSP1N(c2ccccc2)CCN1c1ccccc1)Nc1ccccc1.O=C(NCCSP1N(c2ccccc2)CCN1c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N3OPS.C23H25N4OPS.C23H24N3OPS/c1-25(24(28)21-11-5-2-6-12-21)19-20-30-29-26(22-13-7-3-8-14-22)17-18-27(29)23-15-9-4-10-16-23;28-23(25-20-10-4-1-5-11-20)24-16-19-30-29-26(21-12-6-2-7-13-21)17-18-27(29)22-14-8-3-9-15-22;27-23(20-10-4-1-5-11-20)24-16-19-29-28-25(21-12-6-2-7-13-21)17-18-26(28)22-14-8-3-9-15-22/h2-16H,17-20H2,1H3;1-15H,16-19H2,(H2,24,25,28);1-15H,16-19H2,(H,24,27)
InChIKeyFVHWPWZCSFNJPG-UHFFFAOYSA-N
XLogP16.94
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001293.56
LogP ≤ 516.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]benzamide;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]benzamide;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-3-phenylurea?
The IUPAC name of N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]benzamide;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-3-phenylurea (CID 158152731) is N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]benzamide;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-3-phenylurea.
What is the SMILES notation for N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]benzamide;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-3-phenylurea?
The canonical SMILES for N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]benzamide;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-3-phenylurea is CN(CCSP1N(c2ccccc2)CCN1c1ccccc1)C(=O)c1ccccc1.O=C(NCCSP1N(c2ccccc2)CCN1c1ccccc1)Nc1ccccc1.O=C(NCCSP1N(c2ccccc2)CCN1c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]benzamide;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-3-phenylurea?
The InChIKey is FVHWPWZCSFNJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N3OPS.C23H25N4OPS.C23H24N3OPS/c1-25(24(28)21-11-5-2-6-12-21)19-20-30-29-26(22-13-7-3-8-14-22)17-18-27(29)23-15-9-4-10-16-23;28-23(25-20-10-4-1-5-11-20)24-16-19-30-29-26(21-12-6-2-7-13-21)17-18-27(29)22-14-8-3-9-15-22;27-23(20-10-4-1-5-11-20)24-16-19-29-28-25(21-12-6-2-7-13-21)17-18-26(28)22-14-8-3-9-15-22/h2-16H,17-20H2,1H3;1-15H,16-19H2,(H2,24,25,28);1-15H,16-19H2,(H,24,27).
What are the key properties of N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]benzamide;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-3-phenylurea?
N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]benzamide;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-3-phenylurea has a molecular weight of 1293.56 g/mol, XLogP of 16.94, 21 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]benzamide;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-3-phenylurea is sourced from PubChem (CID 158152731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).