3-[hydroxymethyl-[2-(phenylsulfamoyl)ethyl]amino]-N-phenylpropanamide

C18H23N3O4S — CID 90326005

IUPAC3-[hydroxymethyl-[2-(phenylsulfamoyl)ethyl]amino]-N-phenylpropanamide
SMILESO=C(CCN(CO)CCS(=O)(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C18H23N3O4S/c22-15-21(12-11-18(23)19-16-7-3-1-4-8-16)13-14-26(24,25)20-17-9-5-2-6-10-17/h1-10,20,22H,11-15H2,(H,19,23)
InChIKeyMNWMLCSZRYVSNX-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.71
Rot. Bonds10

About 3-[hydroxymethyl-[2-(phenylsulfamoyl)ethyl]amino]-N-phenylpropanamide

3-[hydroxymethyl-[2-(phenylsulfamoyl)ethyl]amino]-N-phenylpropanamide (PubChem CID 90326005) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-[hydroxymethyl-[2-(phenylsulfamoyl)ethyl]amino]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[hydroxymethyl-[2-(phenylsulfamoyl)ethyl]amino]-N-phenylpropanamide
PubChem CID90326005
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name3-[hydroxymethyl-[2-(phenylsulfamoyl)ethyl]amino]-N-phenylpropanamide
SMILESO=C(CCN(CO)CCS(=O)(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C18H23N3O4S/c22-15-21(12-11-18(23)19-16-7-3-1-4-8-16)13-14-26(24,25)20-17-9-5-2-6-10-17/h1-10,20,22H,11-15H2,(H,19,23)
InChIKeyMNWMLCSZRYVSNX-UHFFFAOYSA-N
XLogP1.71
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
3-(dipropylamino)-N-phenylpropanamide
CID 52579960
2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid
CID 107440552
3-[2-hydroxyethyl(propyl)amino]-N-phenylpropanamide
CID 62016603
2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425180
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid
CID 24705214
3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide
CID 113136332
3-fluoro-N-phenylpropanamide
CID 70366284
3-bromo-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 113385211
3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide
CID 113141302
3-bromo-N-phenylpropane-1-sulfonamide
CID 118418114

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxymethyl-[2-(phenylsulfamoyl)ethyl]amino]-N-phenylpropanamide?
The IUPAC name of 3-[hydroxymethyl-[2-(phenylsulfamoyl)ethyl]amino]-N-phenylpropanamide (CID 90326005) is 3-[hydroxymethyl-[2-(phenylsulfamoyl)ethyl]amino]-N-phenylpropanamide.
What is the SMILES notation for 3-[hydroxymethyl-[2-(phenylsulfamoyl)ethyl]amino]-N-phenylpropanamide?
The canonical SMILES for 3-[hydroxymethyl-[2-(phenylsulfamoyl)ethyl]amino]-N-phenylpropanamide is O=C(CCN(CO)CCS(=O)(=O)Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of 3-[hydroxymethyl-[2-(phenylsulfamoyl)ethyl]amino]-N-phenylpropanamide?
The InChIKey is MNWMLCSZRYVSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c22-15-21(12-11-18(23)19-16-7-3-1-4-8-16)13-14-26(24,25)20-17-9-5-2-6-10-17/h1-10,20,22H,11-15H2,(H,19,23).
What are the key properties of 3-[hydroxymethyl-[2-(phenylsulfamoyl)ethyl]amino]-N-phenylpropanamide?
3-[hydroxymethyl-[2-(phenylsulfamoyl)ethyl]amino]-N-phenylpropanamide has a molecular weight of 377.47 g/mol, XLogP of 1.71, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxymethyl-[2-(phenylsulfamoyl)ethyl]amino]-N-phenylpropanamide is sourced from PubChem (CID 90326005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).