5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide

C24H26N2O2S — CID 1013520

IUPAC5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide
SMILESCc1c(Cc2ccccc2)sc(NC(=O)c2ccc(C(C)(C)C)cc2)c1C(N)=O
InChIInChI=1S/C24H26N2O2S/c1-15-19(14-16-8-6-5-7-9-16)29-23(20(15)21(25)27)26-22(28)17-10-12-18(13-11-17)24(2,3)4/h5-13H,14H2,1-4H3,(H2,25,27)(H,26,28)
InChIKeyWIWMVMQMURGUHD-UHFFFAOYSA-N
MW406.55 g/mol
LogP5.30
Rot. Bonds5

About 5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide

5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide (PubChem CID 1013520) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide
PubChem CID1013520
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide
SMILESCc1c(Cc2ccccc2)sc(NC(=O)c2ccc(C(C)(C)C)cc2)c1C(N)=O
InChIInChI=1S/C24H26N2O2S/c1-15-19(14-16-8-6-5-7-9-16)29-23(20(15)21(25)27)26-22(28)17-10-12-18(13-11-17)24(2,3)4/h5-13H,14H2,1-4H3,(H2,25,27)(H,26,28)
InChIKeyWIWMVMQMURGUHD-UHFFFAOYSA-N
XLogP5.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl]benzoic acid
CID 1016213
5-benzyl-2-[(3-bromo-4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxamide
CID 1323704
5-benzyl-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide
CID 3418422
4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
CID 687585
4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobutanoate
CID 4078615
5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide
CID 1010410
5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide
CID 54789656
2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide
CID 54787416
N-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamothioyl]furan-2-carboxamide
CID 4631871
ethyl 5-benzyl-2-[(4-tert-butylbenzoyl)amino]thiophene-3-carboxylate
CID 46094725
5-benzyl-2-[3-(furan-2-yl)prop-2-enoylamino]-4-methylthiophene-3-carboxamide
CID 1276315
5-benzyl-2-[(3-bromobenzoyl)carbamothioylamino]-4-methylthiophene-3-carboxamide
CID 54791757

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide?
The IUPAC name of 5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide (CID 1013520) is 5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide?
The canonical SMILES for 5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide is Cc1c(Cc2ccccc2)sc(NC(=O)c2ccc(C(C)(C)C)cc2)c1C(N)=O.
What is the InChIKey of 5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide?
The InChIKey is WIWMVMQMURGUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-15-19(14-16-8-6-5-7-9-16)29-23(20(15)21(25)27)26-22(28)17-10-12-18(13-11-17)24(2,3)4/h5-13H,14H2,1-4H3,(H2,25,27)(H,26,28).
What are the key properties of 5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide?
5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide has a molecular weight of 406.55 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 1013520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).