5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide

C11H14ClNO3S — CID 97040090

IUPAC5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H](CO)[C@H](O)C1)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClNO3S/c12-10-2-1-9(17-10)11(16)13-7-3-6(5-14)8(15)4-7/h1-2,6-8,14-15H,3-5H2,(H,13,16)/t6-,7-,8-/m1/s1
InChIKeySEYUYMPUVVOTGQ-BWZBUEFSSA-N
MW275.76 g/mol
LogP1.26
Rot. Bonds3

About 5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide

5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide (PubChem CID 97040090) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
PubChem CID97040090
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H](CO)[C@H](O)C1)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClNO3S/c12-10-2-1-9(17-10)11(16)13-7-3-6(5-14)8(15)4-7/h1-2,6-8,14-15H,3-5H2,(H,13,16)/t6-,7-,8-/m1/s1
InChIKeySEYUYMPUVVOTGQ-BWZBUEFSSA-N
XLogP1.26
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-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

Related Compounds

N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
CID 98783777
N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
CID 97040097
2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 71785720
5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110894
N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide
CID 105058867
2-chloro-6-fluoro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 97039843
(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid
CID 69123854
3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid
CID 141171022
(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 69123830
N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,3-benzodioxole-5-carboxamide
CID 97039811
(2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid
CID 90721203
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide
CID 97039686

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide (CID 97040090) is 5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide is O=C(N[C@@H]1C[C@H](CO)[C@H](O)C1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide?
The InChIKey is SEYUYMPUVVOTGQ-BWZBUEFSSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c12-10-2-1-9(17-10)11(16)13-7-3-6(5-14)8(15)4-7/h1-2,6-8,14-15H,3-5H2,(H,13,16)/t6-,7-,8-/m1/s1.
What are the key properties of 5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide?
5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide has a molecular weight of 275.76 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide is sourced from PubChem (CID 97040090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).