N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide

C18H12Cl2N2O2S — CID 2280085

IUPACN-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccs1
InChIInChI=1S/C18H12Cl2N2O2S/c19-11-6-7-14(15(20)9-11)17(23)21-12-3-1-4-13(10-12)22-18(24)16-5-2-8-25-16/h1-10H,(H,21,23)(H,22,24)
InChIKeySSVOVHCTNIDTQV-UHFFFAOYSA-N
MW391.28 g/mol
LogP5.56
Rot. Bonds4

About N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide

N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 2280085) has the molecular formula C18H12Cl2N2O2S and a molecular weight of 391.28 g/mol. Its IUPAC name is N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID2280085
Molecular FormulaC18H12Cl2N2O2S
Molecular Weight391.28 g/mol
Exact Mass390.00
IUPAC NameN-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccs1
InChIInChI=1S/C18H12Cl2N2O2S/c19-11-6-7-14(15(20)9-11)17(23)21-12-3-1-4-13(10-12)22-18(24)16-5-2-8-25-16/h1-10H,(H,21,23)(H,22,24)
InChIKeySSVOVHCTNIDTQV-UHFFFAOYSA-N
XLogP5.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.28
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 1342504
N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 4569821
6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide
CID 46513513
3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride
CID 87323399
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide
CID 142141961
N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide
CID 1315625
N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1273133
2,4-dichloro-N-[3-[(2,2-diphenylacetyl)amino]phenyl]benzamide
CID 3385314
2,4-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154669
2,4-dichloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide
CID 168543040
N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113018501

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide (CID 2280085) is N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccs1.
What is the InChIKey of N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is SSVOVHCTNIDTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O2S/c19-11-6-7-14(15(20)9-11)17(23)21-12-3-1-4-13(10-12)22-18(24)16-5-2-8-25-16/h1-10H,(H,21,23)(H,22,24).
What are the key properties of N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide?
N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 391.28 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2280085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).