N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide

C17H20N2O3S — CID 56695006

IUPACN-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
SMILESCc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)NCCO)cc1
InChIInChI=1S/C17H20N2O3S/c1-10-4-6-13(7-5-10)15(21)19-17-14(11(2)12(3)23-17)16(22)18-8-9-20/h4-7,20H,8-9H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyGCHFUKHJGIWVFG-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.65
Rot. Bonds5

About N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide

N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide (PubChem CID 56695006) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
PubChem CID56695006
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
SMILESCc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)NCCO)cc1
InChIInChI=1S/C17H20N2O3S/c1-10-4-6-13(7-5-10)15(21)19-17-14(11(2)12(3)23-17)16(22)18-8-9-20/h4-7,20H,8-9H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyGCHFUKHJGIWVFG-UHFFFAOYSA-N
XLogP2.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4,5-dimethyl-2-(pyridine-4-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid
CID 82033390
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 571260
4-bromo-N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 3165980
2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide
CID 3632977
ethyl 2-[(4-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 587143
N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide
CID 1374953
ethyl N-[4,5-dimethyl-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carbonyl]carbamate
CID 121044244
ethyl 5-methyl-2-[(4-methylbenzoyl)amino]-4-phenylthiophene-3-carboxylate
CID 2281503
ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxylate
CID 7521374
ethyl 4-methyl-2-[(4-methylbenzoyl)amino]-5-(2-phenylethylcarbamoyl)thiophene-3-carboxylate
CID 17061547
N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 43389073
4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide
CID 143196350

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide (CID 56695006) is N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide is Cc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)NCCO)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is GCHFUKHJGIWVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-10-4-6-13(7-5-10)15(21)19-17-14(11(2)12(3)23-17)16(22)18-8-9-20/h4-7,20H,8-9H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide?
N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 56695006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).