5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide

C14H14ClNO3S2 — CID 26957732

IUPAC5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)s1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H14ClNO3S2/c1-9(16-14(17)12-7-8-13(15)20-12)10-3-5-11(6-4-10)21(2,18)19/h3-9H,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyDICLXLSRKDWURA-SECBINFHSA-N
MW343.86 g/mol
LogP3.30
Rot. Bonds4

About 5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide

5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 26957732) has the molecular formula C14H14ClNO3S2 and a molecular weight of 343.86 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID26957732
Molecular FormulaC14H14ClNO3S2
Molecular Weight343.86 g/mol
Exact Mass343.01
IUPAC Name5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)s1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H14ClNO3S2/c1-9(16-14(17)12-7-8-13(15)20-12)10-3-5-11(6-4-10)21(2,18)19/h3-9H,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyDICLXLSRKDWURA-SECBINFHSA-N
XLogP3.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide
CID 47516911
5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 2594407
3,4,5,6-tetrachloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 26468278
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide
CID 55433085
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
CID 167529315
5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 9418965
(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride
CID 119274664
2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide
CID 51257751
3-amino-3-[amino-(4-methylsulfonylphenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 121309515
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 36687848

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide (CID 26957732) is 5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide is C[C@@H](NC(=O)c1ccc(Cl)s1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is DICLXLSRKDWURA-SECBINFHSA-N. The full InChI is InChI=1S/C14H14ClNO3S2/c1-9(16-14(17)12-7-8-13(15)20-12)10-3-5-11(6-4-10)21(2,18)19/h3-9H,1-2H3,(H,16,17)/t9-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide?
5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 26957732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).