1-[[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]amino]-3-(2-phenylethyl)thiourea

C24H26N4O3S2 — CID 139248535

IUPAC1-[[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]amino]-3-(2-phenylethyl)thiourea
SMILESO=C(NNC(=S)NCCc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N4O3S2/c29-23(26-27-24(32)25-17-16-19-10-4-1-5-11-19)22(18-20-12-6-2-7-13-20)28-33(30,31)21-14-8-3-9-15-21/h1-15,22,28H,16-18H2,(H,26,29)(H2,25,27,32)/t22-/m1/s1
InChIKeyPYJSVUFCNVGOIP-JOCHJYFZSA-N
MW482.63 g/mol
LogP2.31
Rot. Bonds9

About 1-[[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]amino]-3-(2-phenylethyl)thiourea

1-[[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]amino]-3-(2-phenylethyl)thiourea (PubChem CID 139248535) has the molecular formula C24H26N4O3S2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 1-[[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]amino]-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-[[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]amino]-3-(2-phenylethyl)thiourea
PubChem CID139248535
Molecular FormulaC24H26N4O3S2
Molecular Weight482.63 g/mol
Exact Mass482.14
IUPAC Name1-[[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]amino]-3-(2-phenylethyl)thiourea
SMILESO=C(NNC(=S)NCCc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N4O3S2/c29-23(26-27-24(32)25-17-16-19-10-4-1-5-11-19)22(18-20-12-6-2-7-13-20)28-33(30,31)21-14-8-3-9-15-21/h1-15,22,28H,16-18H2,(H,26,29)(H2,25,27,32)/t22-/m1/s1
InChIKeyPYJSVUFCNVGOIP-JOCHJYFZSA-N
XLogP2.31
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]amino]-3-(2-phenylethyl)thiourea 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 1-[[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]amino]-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-[[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]amino]-3-(2-phenylethyl)thiourea (CID 139248535) is 1-[[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]amino]-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-[[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]amino]-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-[[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]amino]-3-(2-phenylethyl)thiourea is O=C(NNC(=S)NCCc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]amino]-3-(2-phenylethyl)thiourea?
The InChIKey is PYJSVUFCNVGOIP-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26N4O3S2/c29-23(26-27-24(32)25-17-16-19-10-4-1-5-11-19)22(18-20-12-6-2-7-13-20)28-33(30,31)21-14-8-3-9-15-21/h1-15,22,28H,16-18H2,(H,26,29)(H2,25,27,32)/t22-/m1/s1.
What are the key properties of 1-[[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]amino]-3-(2-phenylethyl)thiourea?
1-[[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]amino]-3-(2-phenylethyl)thiourea has a molecular weight of 482.63 g/mol, XLogP of 2.31, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]amino]-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 139248535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).