3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide

C19H20N4O3S — CID 121176264

IUPAC3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC(Cn1nccn1)c1ccccc1
InChIInChI=1S/C19H20N4O3S/c24-19(11-14-27(25,26)17-9-5-2-6-10-17)22-18(15-23-20-12-13-21-23)16-7-3-1-4-8-16/h1-10,12-13,18H,11,14-15H2,(H,22,24)
InChIKeyMOCGPNYGYDPJMQ-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.00
Rot. Bonds8

About 3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide

3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide (PubChem CID 121176264) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
PubChem CID121176264
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC(Cn1nccn1)c1ccccc1
InChIInChI=1S/C19H20N4O3S/c24-19(11-14-27(25,26)17-9-5-2-6-10-17)22-18(15-23-20-12-13-21-23)16-7-3-1-4-8-16/h1-10,12-13,18H,11,14-15H2,(H,22,24)
InChIKeyMOCGPNYGYDPJMQ-UHFFFAOYSA-N
XLogP2.00
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
CID 121176333
N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
CID 121176209
3-(benzenesulfonyl)-N-benzhydrylpropanamide
CID 17310061
2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide
CID 121176289
2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide
CID 124761044
N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 121176307
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 124877934
N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 124761273
3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
CID 121176314
N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide
CID 121176556
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 124891454
(2R)-2-[3-(benzenesulfonyl)propanoylamino]-3-methylbutanoic acid
CID 79009473

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide (CID 121176264) is 3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)NC(Cn1nccn1)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide?
The InChIKey is MOCGPNYGYDPJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c24-19(11-14-27(25,26)17-9-5-2-6-10-17)22-18(15-23-20-12-13-21-23)16-7-3-1-4-8-16/h1-10,12-13,18H,11,14-15H2,(H,22,24).
What are the key properties of 3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide?
3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide has a molecular weight of 384.46 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 121176264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).