N-[3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide

C30H35N3O4S2 — CID 68621901

IUPACN-[3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
SMILESO=C(NC(CCNC[C@@H]1CCCO1)c1ccccc1)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H35N3O4S2/c34-29(32-28(25-10-5-2-6-11-25)17-18-31-22-26-12-7-20-37-26)30-33(19-21-38-30)39(35,36)27-15-13-24(14-16-27)23-8-3-1-4-9-23/h1-6,8-11,13-16,26,28,30-31H,7,12,17-22H2,(H,32,34)/t26-,28?,30?/m0/s1
InChIKeyVXELDQDIAIXCGX-SNKUFMAISA-N
MW565.76 g/mol
LogP4.43
Rot. Bonds11

About N-[3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide

N-[3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide (PubChem CID 68621901) has the molecular formula C30H35N3O4S2 and a molecular weight of 565.76 g/mol. Its IUPAC name is N-[3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
PubChem CID68621901
Molecular FormulaC30H35N3O4S2
Molecular Weight565.76 g/mol
Exact Mass565.21
IUPAC NameN-[3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
SMILESO=C(NC(CCNC[C@@H]1CCCO1)c1ccccc1)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H35N3O4S2/c34-29(32-28(25-10-5-2-6-11-25)17-18-31-22-26-12-7-20-37-26)30-33(19-21-38-30)39(35,36)27-15-13-24(14-16-27)23-8-3-1-4-9-23/h1-6,8-11,13-16,26,28,30-31H,7,12,17-22H2,(H,32,34)/t26-,28?,30?/m0/s1
InChIKeyVXELDQDIAIXCGX-SNKUFMAISA-N
XLogP4.43
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.76
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide 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-[3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
The IUPAC name of N-[3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide (CID 68621901) is N-[3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for N-[3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for N-[3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide is O=C(NC(CCNC[C@@H]1CCCO1)c1ccccc1)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
The InChIKey is VXELDQDIAIXCGX-SNKUFMAISA-N. The full InChI is InChI=1S/C30H35N3O4S2/c34-29(32-28(25-10-5-2-6-11-25)17-18-31-22-26-12-7-20-37-26)30-33(19-21-38-30)39(35,36)27-15-13-24(14-16-27)23-8-3-1-4-9-23/h1-6,8-11,13-16,26,28,30-31H,7,12,17-22H2,(H,32,34)/t26-,28?,30?/m0/s1.
What are the key properties of N-[3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
N-[3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide has a molecular weight of 565.76 g/mol, XLogP of 4.43, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 68621901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).