N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide

C17H18N2O3S — CID 60590871

IUPACN-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide
SMILESCOc1cc(C(=O)Nc2sccc2C(=O)NC2CC2)ccc1C
InChIInChI=1S/C17H18N2O3S/c1-10-3-4-11(9-14(10)22-2)15(20)19-17-13(7-8-23-17)16(21)18-12-5-6-12/h3-4,7-9,12H,5-6H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyTYPNFYJHXPVAIM-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.21
Rot. Bonds5

About N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide

N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide (PubChem CID 60590871) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide
PubChem CID60590871
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide
SMILESCOc1cc(C(=O)Nc2sccc2C(=O)NC2CC2)ccc1C
InChIInChI=1S/C17H18N2O3S/c1-10-3-4-11(9-14(10)22-2)15(20)19-17-13(7-8-23-17)16(21)18-12-5-6-12/h3-4,7-9,12H,5-6H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyTYPNFYJHXPVAIM-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834
N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 60587824
N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 8532471
N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 119474628
N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 56822157
2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-piperidin-4-ylthiophene-3-carboxamide
CID 119388601
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate
CID 71936867
2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide
CID 52822973
N-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide
CID 71935395
N-cyclopropyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide
CID 1247216

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide (CID 60590871) is N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide is COc1cc(C(=O)Nc2sccc2C(=O)NC2CC2)ccc1C.
What is the InChIKey of N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is TYPNFYJHXPVAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-10-3-4-11(9-14(10)22-2)15(20)19-17-13(7-8-23-17)16(21)18-12-5-6-12/h3-4,7-9,12H,5-6H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide?
N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 60590871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).