4-amino-5-benzoyl-2-(4-methylanilino)-N-propan-2-ylthiophene-3-carboxamide

C22H23N3O2S — CID 4660039

IUPAC4-amino-5-benzoyl-2-(4-methylanilino)-N-propan-2-ylthiophene-3-carboxamide
SMILESCc1ccc(Nc2sc(C(=O)c3ccccc3)c(N)c2C(=O)NC(C)C)cc1
InChIInChI=1S/C22H23N3O2S/c1-13(2)24-21(27)17-18(23)20(19(26)15-7-5-4-6-8-15)28-22(17)25-16-11-9-14(3)10-12-16/h4-13,25H,23H2,1-3H3,(H,24,27)
InChIKeyMHRLWMVSKGQFRR-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.75
Rot. Bonds6

About 4-amino-5-benzoyl-2-(4-methylanilino)-N-propan-2-ylthiophene-3-carboxamide

4-amino-5-benzoyl-2-(4-methylanilino)-N-propan-2-ylthiophene-3-carboxamide (PubChem CID 4660039) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-amino-5-benzoyl-2-(4-methylanilino)-N-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-benzoyl-2-(4-methylanilino)-N-propan-2-ylthiophene-3-carboxamide
PubChem CID4660039
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name4-amino-5-benzoyl-2-(4-methylanilino)-N-propan-2-ylthiophene-3-carboxamide
SMILESCc1ccc(Nc2sc(C(=O)c3ccccc3)c(N)c2C(=O)NC(C)C)cc1
InChIInChI=1S/C22H23N3O2S/c1-13(2)24-21(27)17-18(23)20(19(26)15-7-5-4-6-8-15)28-22(17)25-16-11-9-14(3)10-12-16/h4-13,25H,23H2,1-3H3,(H,24,27)
InChIKeyMHRLWMVSKGQFRR-UHFFFAOYSA-N
XLogP4.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-2-anilino-5-benzoyl-3-thiophenecarbonitrile
CID 1479382
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
(S)-1-(5-(4-aminophenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 44560570
(S)-1-(5-(4-(dimethylamino)phenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 44560571
4-Amino-5-(4-fluoro-benzoyl)-2-phenylamino-thiophene-3-carbonitrile
CID 902385
[3-Amino-5-anilino-4-(phenylsulfonyl)-2-thienyl](phenyl)methanone
CID 1226928
N-(4-methylphenyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1268017
5-Amino-6-(4-methylbenzoyl)-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 2123729
N-(2,4-dimethylphenyl)-2-[(3-methylbutanoyl)amino]-4-phenyl-3-thiophenecarboxamide
CID 2195944
4-amino-5-benzoyl-N-(4-chlorophenyl)-2-(4-methylanilino)thiophene-3-carboxamide
CID 4660041
3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-4-oxo-2-[4-(propanoylamino)phenyl]-N-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide
CID 11592658
[3-Amino-4-(methylsulfonyl)-5-(2-toluidino)-2-thienyl](phenyl)methanone
CID 16012485

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-benzoyl-2-(4-methylanilino)-N-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 4-amino-5-benzoyl-2-(4-methylanilino)-N-propan-2-ylthiophene-3-carboxamide (CID 4660039) is 4-amino-5-benzoyl-2-(4-methylanilino)-N-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-benzoyl-2-(4-methylanilino)-N-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-benzoyl-2-(4-methylanilino)-N-propan-2-ylthiophene-3-carboxamide is Cc1ccc(Nc2sc(C(=O)c3ccccc3)c(N)c2C(=O)NC(C)C)cc1.
What is the InChIKey of 4-amino-5-benzoyl-2-(4-methylanilino)-N-propan-2-ylthiophene-3-carboxamide?
The InChIKey is MHRLWMVSKGQFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-13(2)24-21(27)17-18(23)20(19(26)15-7-5-4-6-8-15)28-22(17)25-16-11-9-14(3)10-12-16/h4-13,25H,23H2,1-3H3,(H,24,27).
What are the key properties of 4-amino-5-benzoyl-2-(4-methylanilino)-N-propan-2-ylthiophene-3-carboxamide?
4-amino-5-benzoyl-2-(4-methylanilino)-N-propan-2-ylthiophene-3-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-benzoyl-2-(4-methylanilino)-N-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 4660039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).