2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide

C15H17N3O2S — CID 3686157

IUPAC2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H17N3O2S/c1-16-14(20)12-8-9-21-15(12)17-13(19)10-4-6-11(7-5-10)18(2)3/h4-9H,1-3H3,(H,16,20)(H,17,19)
InChIKeyIFXFQFOPJDAETN-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.43
Rot. Bonds4

About 2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide

2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide (PubChem CID 3686157) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide
PubChem CID3686157
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H17N3O2S/c1-16-14(20)12-8-9-21-15(12)17-13(19)10-4-6-11(7-5-10)18(2)3/h4-9H,1-3H3,(H,16,20)(H,17,19)
InChIKeyIFXFQFOPJDAETN-UHFFFAOYSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 7141428
2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 3356370
methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate
CID 7167229
4-[4-(dimethylamino)phenyl]-N-methylbenzamide
CID 110487764
2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid
CID 43357483
N-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
CID 7167237
2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide
CID 52822973
N-methyl-2-(pentanoylamino)thiophene-3-carboxamide
CID 7167243
2-benzamidothiophene-3-carboxylic acid
CID 16639461
2-[(4-bromobenzoyl)amino]thiophene-3-carboxylic acid
CID 16777500
2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 12006182
methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate
CID 4053233

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide?
The IUPAC name of 2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide (CID 3686157) is 2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide is CNC(=O)c1ccsc1NC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide?
The InChIKey is IFXFQFOPJDAETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-16-14(20)12-8-9-21-15(12)17-13(19)10-4-6-11(7-5-10)18(2)3/h4-9H,1-3H3,(H,16,20)(H,17,19).
What are the key properties of 2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide?
2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 3686157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).