(3R)-3-acetamido-N-(3-cyanophenyl)sulfonyl-3-thiophen-2-ylpropanamide

C16H15N3O4S2 — CID 94190927

IUPAC(3R)-3-acetamido-N-(3-cyanophenyl)sulfonyl-3-thiophen-2-ylpropanamide
SMILESCC(=O)N[C@H](CC(=O)NS(=O)(=O)c1cccc(C#N)c1)c1cccs1
InChIInChI=1S/C16H15N3O4S2/c1-11(20)18-14(15-6-3-7-24-15)9-16(21)19-25(22,23)13-5-2-4-12(8-13)10-17/h2-8,14H,9H2,1H3,(H,18,20)(H,19,21)/t14-/m1/s1
InChIKeyXQNOZZJZRQMFNB-CQSZACIVSA-N
MW377.45 g/mol
LogP1.69
Rot. Bonds6

About (3R)-3-acetamido-N-(3-cyanophenyl)sulfonyl-3-thiophen-2-ylpropanamide

(3R)-3-acetamido-N-(3-cyanophenyl)sulfonyl-3-thiophen-2-ylpropanamide (PubChem CID 94190927) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (3R)-3-acetamido-N-(3-cyanophenyl)sulfonyl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-(3-cyanophenyl)sulfonyl-3-thiophen-2-ylpropanamide
PubChem CID94190927
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC Name(3R)-3-acetamido-N-(3-cyanophenyl)sulfonyl-3-thiophen-2-ylpropanamide
SMILESCC(=O)N[C@H](CC(=O)NS(=O)(=O)c1cccc(C#N)c1)c1cccs1
InChIInChI=1S/C16H15N3O4S2/c1-11(20)18-14(15-6-3-7-24-15)9-16(21)19-25(22,23)13-5-2-4-12(8-13)10-17/h2-8,14H,9H2,1H3,(H,18,20)(H,19,21)/t14-/m1/s1
InChIKeyXQNOZZJZRQMFNB-CQSZACIVSA-N
XLogP1.69
TPSA116.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetamido-N-cyano-3-thiophen-2-ylpropanamide
CID 79193756
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
N-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide
CID 177465395
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
3-[(3-cyanophenyl)sulfonylamino]-4-methylpentanoic acid
CID 75496514
(2S)-2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-4-hydroxybutanoic acid
CID 107821614
3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide
CID 55985097
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]propanoate
CID 60712518
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 115581954
3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide
CID 115643278

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-(3-cyanophenyl)sulfonyl-3-thiophen-2-ylpropanamide?
The IUPAC name of (3R)-3-acetamido-N-(3-cyanophenyl)sulfonyl-3-thiophen-2-ylpropanamide (CID 94190927) is (3R)-3-acetamido-N-(3-cyanophenyl)sulfonyl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3R)-3-acetamido-N-(3-cyanophenyl)sulfonyl-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3R)-3-acetamido-N-(3-cyanophenyl)sulfonyl-3-thiophen-2-ylpropanamide is CC(=O)N[C@H](CC(=O)NS(=O)(=O)c1cccc(C#N)c1)c1cccs1.
What is the InChIKey of (3R)-3-acetamido-N-(3-cyanophenyl)sulfonyl-3-thiophen-2-ylpropanamide?
The InChIKey is XQNOZZJZRQMFNB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-11(20)18-14(15-6-3-7-24-15)9-16(21)19-25(22,23)13-5-2-4-12(8-13)10-17/h2-8,14H,9H2,1H3,(H,18,20)(H,19,21)/t14-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-(3-cyanophenyl)sulfonyl-3-thiophen-2-ylpropanamide?
(3R)-3-acetamido-N-(3-cyanophenyl)sulfonyl-3-thiophen-2-ylpropanamide has a molecular weight of 377.45 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-(3-cyanophenyl)sulfonyl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 94190927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).