2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide

C20H25N3O2S — CID 52822973

IUPAC2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)Nc2sccc2C(=O)NC2CC2)cc1
InChIInChI=1S/C20H25N3O2S/c1-3-4-12-23(2)16-9-5-14(6-10-16)18(24)22-20-17(11-13-26-20)19(25)21-15-7-8-15/h5-6,9-11,13,15H,3-4,7-8,12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyHLDAWTZBSVEWHS-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.13
Rot. Bonds8

About 2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide

2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide (PubChem CID 52822973) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide
PubChem CID52822973
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)Nc2sccc2C(=O)NC2CC2)cc1
InChIInChI=1S/C20H25N3O2S/c1-3-4-12-23(2)16-9-5-14(6-10-16)18(24)22-20-17(11-13-26-20)19(25)21-15-7-8-15/h5-6,9-11,13,15H,3-4,7-8,12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyHLDAWTZBSVEWHS-UHFFFAOYSA-N
XLogP4.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 60587824
N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 119474628
N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 60590871
2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 55962173
methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate
CID 71936867
2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 7141428
5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide
CID 109223633
4-[butyl(methyl)amino]-N-(1-methyl-5-oxo-4H-imidazol-2-yl)benzamide
CID 126829041
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide
CID 119459719
N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 56822157
1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109043408
(2S)-2-[[4-[butyl(methyl)amino]benzoyl]amino]-3-methylbutanoic acid
CID 119359449

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide?
The IUPAC name of 2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide (CID 52822973) is 2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide?
The canonical SMILES for 2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide is CCCCN(C)c1ccc(C(=O)Nc2sccc2C(=O)NC2CC2)cc1.
What is the InChIKey of 2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide?
The InChIKey is HLDAWTZBSVEWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-3-4-12-23(2)16-9-5-14(6-10-16)18(24)22-20-17(11-13-26-20)19(25)21-15-7-8-15/h5-6,9-11,13,15H,3-4,7-8,12H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide?
2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide is sourced from PubChem (CID 52822973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).