4-(2,4-dichlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide

C19H14Cl2N2O2S — CID 1245647

IUPAC4-(2,4-dichlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)Cc1ccccc1
InChIInChI=1S/C19H14Cl2N2O2S/c20-12-6-7-13(15(21)9-12)14-10-26-19(17(14)18(22)25)23-16(24)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H2,22,25)(H,23,24)
InChIKeyXMGIGDNDRCSVQI-UHFFFAOYSA-N
MW405.31 g/mol
LogP5.00
Rot. Bonds5

About 4-(2,4-dichlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide

4-(2,4-dichlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide (PubChem CID 1245647) has the molecular formula C19H14Cl2N2O2S and a molecular weight of 405.31 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide
PubChem CID1245647
Molecular FormulaC19H14Cl2N2O2S
Molecular Weight405.31 g/mol
Exact Mass404.02
IUPAC Name4-(2,4-dichlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)Cc1ccccc1
InChIInChI=1S/C19H14Cl2N2O2S/c20-12-6-7-13(15(21)9-12)14-10-26-19(17(14)18(22)25)23-16(24)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H2,22,25)(H,23,24)
InChIKeyXMGIGDNDRCSVQI-UHFFFAOYSA-N
XLogP5.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.31
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 704777
2-(2-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 723141
2-(4-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 2066142
N-(3-chlorophenyl)-2-[(trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3785629
2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropylthiophene-3-carboxamide
CID 60165326
p53-MDM2 inhibitor MCL0527-3
CID 60168728
2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-phenylthiophene-3-carboxamide
CID 66551656
2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 702148
2-[(2-chloro-4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 2087167
2-Chloro-N-[3-(4-chloro-benzoyl)-5-methyl-thiophen-2-yl]-acetamide
CID 859632
N-(4-chlorophenyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3119666
N-(3-chlorophenyl)-2-[(phenylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3119681

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide (CID 1245647) is 4-(2,4-dichlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide is NC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)Cc1ccccc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide?
The InChIKey is XMGIGDNDRCSVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2S/c20-12-6-7-13(15(21)9-12)14-10-26-19(17(14)18(22)25)23-16(24)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H2,22,25)(H,23,24).
What are the key properties of 4-(2,4-dichlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide?
4-(2,4-dichlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide has a molecular weight of 405.31 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 1245647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).