N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide

C19H18N2O2S — CID 7520924

IUPACN,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc(C)c1C
InChIInChI=1S/C19H18N2O2S/c1-11-12(2)24-19(16(11)18(23)20-3)21-17(22)15-9-8-13-6-4-5-7-14(13)10-15/h4-10H,1-3H3,(H,20,23)(H,21,22)
InChIKeyZXWQIPYBRJHDSZ-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.13
Rot. Bonds3

About N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide

N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide (PubChem CID 7520924) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide.

Molecular Properties

Compound NameN,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide
PubChem CID7520924
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc(C)c1C
InChIInChI=1S/C19H18N2O2S/c1-11-12(2)24-19(16(11)18(23)20-3)21-17(22)15-9-8-13-6-4-5-7-14(13)10-15/h4-10H,1-3H3,(H,20,23)(H,21,22)
InChIKeyZXWQIPYBRJHDSZ-UHFFFAOYSA-N
XLogP4.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid
CID 16773867
N,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide
CID 7520874
N,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide
CID 7520896
N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7287220
N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]naphthalene-2-carboxamide
CID 16874515
N,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide
CID 7287219
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 571260
N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 7520892
2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide
CID 18575159
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide
CID 10714147
(3R)-N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7287217

Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide?
The IUPAC name of N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide (CID 7520924) is N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide.
What is the SMILES notation for N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide?
The canonical SMILES for N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide is CNC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc(C)c1C.
What is the InChIKey of N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide?
The InChIKey is ZXWQIPYBRJHDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-11-12(2)24-19(16(11)18(23)20-3)21-17(22)15-9-8-13-6-4-5-7-14(13)10-15/h4-10H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide?
N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide is sourced from PubChem (CID 7520924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).