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

C11H10ClNO2S — CID 39271617

IUPACN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)c1ccc(Cl)s1
InChIInChI=1S/C11H10ClNO2S/c1-7(9-2-3-10(12)16-9)13-11(14)8-4-5-15-6-8/h2-7H,1H3,(H,13,14)/t7-/m0/s1
InChIKeySTAWNXVLPRRRFA-ZETCQYMHSA-N
MW255.73 g/mol
LogP3.49
Rot. Bonds3

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

N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide (PubChem CID 39271617) has the molecular formula C11H10ClNO2S and a molecular weight of 255.73 g/mol. Its IUPAC name is N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide
PubChem CID39271617
Molecular FormulaC11H10ClNO2S
Molecular Weight255.73 g/mol
Exact Mass255.01
IUPAC NameN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)c1ccc(Cl)s1
InChIInChI=1S/C11H10ClNO2S/c1-7(9-2-3-10(12)16-9)13-11(14)8-4-5-15-6-8/h2-7H,1H3,(H,13,14)/t7-/m0/s1
InChIKeySTAWNXVLPRRRFA-ZETCQYMHSA-N
XLogP3.49
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 71938396
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide
CID 100728789
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide
CID 95158199
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 46419387
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
CID 103749027
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 39272941
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide
CID 51264786
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
5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 51938203

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide?
The IUPAC name of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide (CID 39271617) is N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide is C[C@H](NC(=O)c1ccoc1)c1ccc(Cl)s1.
What is the InChIKey of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide?
The InChIKey is STAWNXVLPRRRFA-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H10ClNO2S/c1-7(9-2-3-10(12)16-9)13-11(14)8-4-5-15-6-8/h2-7H,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide?
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide has a molecular weight of 255.73 g/mol, XLogP of 3.49, 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]furan-3-carboxamide is sourced from PubChem (CID 39271617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).