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

C24H26N3OPS — CID 134471124

IUPACN-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide
SMILESCN(CCSP1N(c2ccccc2)CCN1c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C24H26N3OPS/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/h2-16H,17-20H2,1H3
InChIKeyPSTRPUYAKXZLOH-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.75
Rot. Bonds7

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

N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide (PubChem CID 134471124) has the molecular formula C24H26N3OPS and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide
PubChem CID134471124
Molecular FormulaC24H26N3OPS
Molecular Weight435.53 g/mol
Exact Mass435.15
IUPAC NameN-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide
SMILESCN(CCSP1N(c2ccccc2)CCN1c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C24H26N3OPS/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/h2-16H,17-20H2,1H3
InChIKeyPSTRPUYAKXZLOH-UHFFFAOYSA-N
XLogP5.75
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide (CID 134471124) is N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide is CN(CCSP1N(c2ccccc2)CCN1c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide?
The InChIKey is PSTRPUYAKXZLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N3OPS/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/h2-16H,17-20H2,1H3.
What are the key properties of N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide?
N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]-N-methylbenzamide has a molecular weight of 435.53 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 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]-N-methylbenzamide is sourced from PubChem (CID 134471124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).