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

C17H21N3O2S — CID 7141428

IUPAC2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)Nc2sccc2C(=O)NC)cc1
InChIInChI=1S/C17H21N3O2S/c1-4-20(5-2)13-8-6-12(7-9-13)15(21)19-17-14(10-11-23-17)16(22)18-3/h6-11H,4-5H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyVORHUKOICWFULT-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.21
Rot. Bonds6

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

2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide (PubChem CID 7141428) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide
PubChem CID7141428
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)Nc2sccc2C(=O)NC)cc1
InChIInChI=1S/C17H21N3O2S/c1-4-20(5-2)13-8-6-12(7-9-13)15(21)19-17-14(10-11-23-17)16(22)18-3/h6-11H,4-5H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyVORHUKOICWFULT-UHFFFAOYSA-N
XLogP3.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 3686157
methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate
CID 7167229
N-methyl-2-(pentanoylamino)thiophene-3-carboxamide
CID 7167243
2-[[4-(diethylamino)benzoyl]amino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 7475114
2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 7164117
2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide
CID 52822973
2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid
CID 43357483
N-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide
CID 7167233
3-[[2-[(4-ethylbenzoyl)amino]thiophene-3-carbonyl]-methylamino]propanoic acid
CID 119362961
ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124
N-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
CID 7167237
4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65312704

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide?
The IUPAC name of 2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide (CID 7141428) is 2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide is CCN(CC)c1ccc(C(=O)Nc2sccc2C(=O)NC)cc1.
What is the InChIKey of 2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide?
The InChIKey is VORHUKOICWFULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-4-20(5-2)13-8-6-12(7-9-13)15(21)19-17-14(10-11-23-17)16(22)18-3/h6-11H,4-5H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide?
2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 7141428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).