N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

C24H19N3O4S2 — CID 2972176

IUPACN-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H19N3O4S2/c1-31-17-10-11-18(19(14-17)27-24(30)21-5-3-13-33-21)26-22(28)15-6-8-16(9-7-15)25-23(29)20-4-2-12-32-20/h2-14H,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyCNIKNVAASJGGMV-UHFFFAOYSA-N
MW477.57 g/mol
LogP5.58
Rot. Bonds7

About N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 2972176) has the molecular formula C24H19N3O4S2 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID2972176
Molecular FormulaC24H19N3O4S2
Molecular Weight477.57 g/mol
Exact Mass477.08
IUPAC NameN-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H19N3O4S2/c1-31-17-10-11-18(19(14-17)27-24(30)21-5-3-13-33-21)26-22(28)15-6-8-16(9-7-15)25-23(29)20-4-2-12-32-20/h2-14H,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyCNIKNVAASJGGMV-UHFFFAOYSA-N
XLogP5.58
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
CID 9324777
N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 3161512
[4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 1092077
N-[2-chloro-5-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 42994538
N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8935656
N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46484966
N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 55833588
N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9154188
N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 3119793
N-[5-[(4-methoxybenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide
CID 1449430
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1136350

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 2972176) is N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is COc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is CNIKNVAASJGGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4S2/c1-31-17-10-11-18(19(14-17)27-24(30)21-5-3-13-33-21)26-22(28)15-6-8-16(9-7-15)25-23(29)20-4-2-12-32-20/h2-14H,1H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 5.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2972176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).