N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide

C12H12ClNO2S — CID 95158199

IUPACN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)N[C@@H](C)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClNO2S/c1-7-5-6-16-11(7)12(15)14-8(2)9-3-4-10(13)17-9/h3-6,8H,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyBWFXNWQKLAXTOU-QMMMGPOBSA-N
MW269.75 g/mol
LogP3.79
Rot. Bonds3

About N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide

N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide (PubChem CID 95158199) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide
PubChem CID95158199
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC NameN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)N[C@@H](C)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClNO2S/c1-7-5-6-16-11(7)12(15)14-8(2)9-3-4-10(13)17-9/h3-6,8H,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyBWFXNWQKLAXTOU-QMMMGPOBSA-N
XLogP3.79
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-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)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide
CID 39271617
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 39272941
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
CID 103749027
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide
CID 106501533
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 63211741
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 47168597
5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 51938203
5-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296251
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide
CID 42957659

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide (CID 95158199) is N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)N[C@@H](C)c1ccc(Cl)s1.
What is the InChIKey of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide?
The InChIKey is BWFXNWQKLAXTOU-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12ClNO2S/c1-7-5-6-16-11(7)12(15)14-8(2)9-3-4-10(13)17-9/h3-6,8H,1-2H3,(H,14,15)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide?
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide has a molecular weight of 269.75 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 95158199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).