N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide

C12H12ClNOS2 — CID 39272941

IUPACN-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)s1
InChIInChI=1S/C12H12ClNOS2/c1-7-3-4-10(16-7)12(15)14-8(2)9-5-6-11(13)17-9/h3-6,8H,1-2H3,(H,14,15)/t8-/m1/s1
InChIKeyRABCHQPFASNYGA-MRVPVSSYSA-N
MW285.82 g/mol
LogP4.26
Rot. Bonds3

About N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide

N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 39272941) has the molecular formula C12H12ClNOS2 and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide
PubChem CID39272941
Molecular FormulaC12H12ClNOS2
Molecular Weight285.82 g/mol
Exact Mass285.00
IUPAC NameN-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)s1
InChIInChI=1S/C12H12ClNOS2/c1-7-3-4-10(16-7)12(15)14-8(2)9-5-6-11(13)17-9/h3-6,8H,1-2H3,(H,14,15)/t8-/m1/s1
InChIKeyRABCHQPFASNYGA-MRVPVSSYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 112575752
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
CID 103749027
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide
CID 95158199
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47097917
3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113362339
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 63211741
2-amino-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 114922653
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide (CID 39272941) is N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)s1.
What is the InChIKey of N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is RABCHQPFASNYGA-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12ClNOS2/c1-7-3-4-10(16-7)12(15)14-8(2)9-5-6-11(13)17-9/h3-6,8H,1-2H3,(H,14,15)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide?
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 285.82 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 39272941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).