N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide

C13H12ClNOS — CID 26908057

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClNOS/c1-9(10-4-2-5-11(14)8-10)15-13(16)12-6-3-7-17-12/h2-9H,1H3,(H,15,16)/t9-/m0/s1
InChIKeyATVBAEVMHJUNHI-VIFPVBQESA-N
MW265.76 g/mol
LogP3.89
Rot. Bonds3

About N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide

N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 26908057) has the molecular formula C13H12ClNOS and a molecular weight of 265.76 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
PubChem CID26908057
Molecular FormulaC13H12ClNOS
Molecular Weight265.76 g/mol
Exact Mass265.03
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClNOS/c1-9(10-4-2-5-11(14)8-10)15-13(16)12-6-3-7-17-12/h2-9H,1H3,(H,15,16)/t9-/m0/s1
InChIKeyATVBAEVMHJUNHI-VIFPVBQESA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498
2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 61266625
N-[1-[1-(3-bromophenyl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 43059234
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 42889829
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51194882
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
N-[1-(3-chlorophenyl)ethyl]-2-ethynyl-1,3-thiazole-4-carboxamide
CID 171401030
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-2-carboxamide
CID 8500551
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide (CID 26908057) is N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide is C[C@H](NC(=O)c1cccs1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is ATVBAEVMHJUNHI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-9(10-4-2-5-11(14)8-10)15-13(16)12-6-3-7-17-12/h2-9H,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide?
N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 265.76 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 26908057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).