4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide

C18H22N2O2S — CID 99838544

IUPAC4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1
InChIInChI=1S/C18H22N2O2S/c1-11(2)20(5)18(22)15-8-14(7-6-12(15)3)19-17(21)16-10-23-9-13(16)4/h6-11H,1-5H3,(H,19,21)
InChIKeyRRXSUCDXNMKZMM-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.10
Rot. Bonds4

About 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide

4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide (PubChem CID 99838544) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide
PubChem CID99838544
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1
InChIInChI=1S/C18H22N2O2S/c1-11(2)20(5)18(22)15-8-14(7-6-12(15)3)19-17(21)16-10-23-9-13(16)4/h6-11H,1-5H3,(H,19,21)
InChIKeyRRXSUCDXNMKZMM-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
CID 79802864
4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 99838573
N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802134
3-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 146102908
N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide
CID 99839674
N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide
CID 103944405
1-[[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122091808
N-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 71975443
N-(6-fluoro-3-pyridinyl)-4-methylthiophene-3-carboxamide
CID 103789592
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-methylthiophene-3-carboxamide
CID 79807484
2-methyl-5-(2-methylpropylcarbamoylamino)benzoic acid
CID 63652124
5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
CID 63654176

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide (CID 99838544) is 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide is Cc1cscc1C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1.
What is the InChIKey of 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide?
The InChIKey is RRXSUCDXNMKZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-11(2)20(5)18(22)15-8-14(7-6-12(15)3)19-17(21)16-10-23-9-13(16)4/h6-11H,1-5H3,(H,19,21).
What are the key properties of 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide?
4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 99838544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).