N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide

C20H17ClN2O2S — CID 25161802

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C20H17ClN2O2S/c1-23(13-18(24)22-16-9-7-15(21)8-10-16)20(25)19-17(11-12-26-19)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,24)
InChIKeySFHXMIWJHOEVLZ-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.78
Rot. Bonds5

About N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide

N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide (PubChem CID 25161802) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
PubChem CID25161802
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C20H17ClN2O2S/c1-23(13-18(24)22-16-9-7-15(21)8-10-16)20(25)19-17(11-12-26-19)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,24)
InChIKeySFHXMIWJHOEVLZ-UHFFFAOYSA-N
XLogP4.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-YL)benzamido) cyclopentyl)thiophene-2-carboxamide
CID 9954980
3-Chloro-N-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide
CID 447193
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({[3-(dimethylamino)propyl](methyl)amino}methyl)thiophene-2-carboxamide
CID 18376642
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({[2-(diethylamino)ethyl](methyl)amino}methyl)thiophene-2-carboxamide
CID 18376719
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({[2-(dimethylamino)ethyl](methyl)amino}methyl)thiophene-2-carboxamide
CID 18376832
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({methyl[2-(pyrrolidin-1-yl)ethyl]amino}methyl)thiophene-2-carboxamide
CID 18376973
5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
CID 10250490
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide
CID 18376605
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carboxamide
CID 18376606
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-[(4-acetylpiperazin-1-yl)methyl]thiophene-2-carboxamide
CID 18376659
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-5-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide
CID 18376888
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({[2-(dimethylamino)ethyl]sulfanyl}methyl)thiophene-2-carboxamide
CID 18376930

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide (CID 25161802) is N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide is CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide?
The InChIKey is SFHXMIWJHOEVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c1-23(13-18(24)22-16-9-7-15(21)8-10-16)20(25)19-17(11-12-26-19)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide?
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide has a molecular weight of 384.89 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 25161802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).