N-[2-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide

C19H15ClN2O2S — CID 2226693

IUPACN-[2-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide
SMILESO=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1
InChIInChI=1S/C19H15ClN2O2S/c20-15-12-14(21-18(23)11-13-5-2-1-3-6-13)8-9-16(15)22-19(24)17-7-4-10-25-17/h1-10,12H,11H2,(H,21,23)(H,22,24)
InChIKeyLGUBIVCBTFEPAJ-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.84
Rot. Bonds5

About N-[2-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide

N-[2-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 2226693) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is N-[2-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID2226693
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC NameN-[2-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide
SMILESO=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1
InChIInChI=1S/C19H15ClN2O2S/c20-15-12-14(21-18(23)11-13-5-2-1-3-6-13)8-9-16(15)22-19(24)17-7-4-10-25-17/h1-10,12H,11H2,(H,21,23)(H,22,24)
InChIKeyLGUBIVCBTFEPAJ-UHFFFAOYSA-N
XLogP4.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)thiophene-2-carboxamide
CID 531925
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-5-methylthiophene-2-carboxamide
CID 18376748
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-methylthiophene-2-carboxamide
CID 18377010
N-[2-chloro-5-(hydroxycarbamoyl)phenyl]-1-benzothiophene-7-carboxamide
CID 134822021
(2S)-N-[(1S)-1-[(2-chloro-4-nitrophenyl)carbamoyl]-2-phenylethyl]-4-methyl-2-[(2S)-3-methyl-2-(thiophen-2-ylformamido)butanamido]pentanamide
CID 11467858
N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155521711
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155547873
N-(5-chlorothiophen-3-yl)benzamide
CID 901515
N-[2-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
CID 1136439
N-(3-chloro-2-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 2413150
N-{4-[(2-phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 3162290
N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 806954

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide (CID 2226693) is N-[2-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide is O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is LGUBIVCBTFEPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c20-15-12-14(21-18(23)11-13-5-2-1-3-6-13)8-9-16(15)22-19(24)17-7-4-10-25-17/h1-10,12H,11H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
N-[2-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 370.86 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2226693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).