2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide

C15H15IN2O2S — CID 56502350

IUPAC2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1cccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1I
InChIInChI=1S/C15H15IN2O2S/c1-7-5-4-6-10(12(7)16)14(20)18-15-11(13(17)19)8(2)9(3)21-15/h4-6H,1-3H3,(H2,17,19)(H,18,20)
InChIKeyUKZXFKSNPYQWIP-UHFFFAOYSA-N
MW414.27 g/mol
LogP3.63
Rot. Bonds3

About 2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide

2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 56502350) has the molecular formula C15H15IN2O2S and a molecular weight of 414.27 g/mol. Its IUPAC name is 2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID56502350
Molecular FormulaC15H15IN2O2S
Molecular Weight414.27 g/mol
Exact Mass413.99
IUPAC Name2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1cccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1I
InChIInChI=1S/C15H15IN2O2S/c1-7-5-4-6-10(12(7)16)14(20)18-15-11(13(17)19)8(2)9(3)21-15/h4-6H,1-3H3,(H2,17,19)(H,18,20)
InChIKeyUKZXFKSNPYQWIP-UHFFFAOYSA-N
XLogP3.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.27
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 1021509
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 950144
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804228
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 4296746
2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 56824654
2-[(2,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 844073
4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide
CID 7378277
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4985663
4,5-dimethyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide
CID 4954977
4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide
CID 35523539
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-iodo-3-methylbenzamide
CID 47399402

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide (CID 56502350) is 2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide is Cc1cccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1I.
What is the InChIKey of 2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is UKZXFKSNPYQWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O2S/c1-7-5-4-6-10(12(7)16)14(20)18-15-11(13(17)19)8(2)9(3)21-15/h4-6H,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of 2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 414.27 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 56502350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).