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

C22H17N3O2S2 — CID 67687159

IUPACN-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(NC(=O)c3cccs3)cc2)cc1)c1cccs1
InChIInChI=1S/C22H17N3O2S2/c26-21(19-3-1-13-28-19)24-17-9-5-15(6-10-17)23-16-7-11-18(12-8-16)25-22(27)20-4-2-14-29-20/h1-14,23H,(H,24,26)(H,25,27)
InChIKeyAIZQMNVSHQKLMK-UHFFFAOYSA-N
MW419.53 g/mol
LogP6.06
Rot. Bonds6

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

N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide (PubChem CID 67687159) has the molecular formula C22H17N3O2S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
PubChem CID67687159
Molecular FormulaC22H17N3O2S2
Molecular Weight419.53 g/mol
Exact Mass419.08
IUPAC NameN-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(NC(=O)c3cccs3)cc2)cc1)c1cccs1
InChIInChI=1S/C22H17N3O2S2/c26-21(19-3-1-13-28-19)24-17-9-5-15(6-10-17)23-16-7-11-18(12-8-16)25-22(27)20-4-2-14-29-20/h1-14,23H,(H,24,26)(H,25,27)
InChIKeyAIZQMNVSHQKLMK-UHFFFAOYSA-N
XLogP6.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 56.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide
CID 112985944
N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide
CID 112987822
N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide
CID 112986746
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-[4-(1,3-benzodioxol-5-ylamino)phenyl]thiophene-2-carboxamide
CID 112989143
N-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide
CID 112990152
4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
CID 15384313
N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9154188
N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide
CID 574246

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide (CID 67687159) is N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Nc2ccc(NC(=O)c3cccs3)cc2)cc1)c1cccs1.
What is the InChIKey of N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide?
The InChIKey is AIZQMNVSHQKLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S2/c26-21(19-3-1-13-28-19)24-17-9-5-15(6-10-17)23-16-7-11-18(12-8-16)25-22(27)20-4-2-14-29-20/h1-14,23H,(H,24,26)(H,25,27).
What are the key properties of N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide?
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 6.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 67687159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).