N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide

C19H15ClN2O2S — CID 3132084

IUPACN-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide
SMILESO=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C19H15ClN2O2S/c20-15-12-14(21-19(24)17-7-4-10-25-17)8-9-16(15)22-18(23)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,21,24)(H,22,23)
InChIKeyOUXUGHXEMACTOS-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.84
Rot. Bonds5

About N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide

N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 3132084) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID3132084
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC NameN-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide
SMILESO=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C19H15ClN2O2S/c20-15-12-14(21-19(24)17-7-4-10-25-17)8-9-16(15)22-18(23)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,21,24)(H,22,23)
InChIKeyOUXUGHXEMACTOS-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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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide (CID 3132084) is N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide is O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is OUXUGHXEMACTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c20-15-12-14(21-19(24)17-7-4-10-25-17)8-9-16(15)22-18(23)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,21,24)(H,22,23).
What are the key properties of N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
N-[3-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-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3132084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).