3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide

C16H20N2OS — CID 61116582

IUPAC3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1sccc1N
InChIInChI=1S/C16H20N2OS/c1-3-12(2)18(11-13-7-5-4-6-8-13)16(19)15-14(17)9-10-20-15/h4-10,12H,3,11,17H2,1-2H3
InChIKeyBRWKKPNWHSJIQK-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.77
Rot. Bonds5

About 3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide

3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide (PubChem CID 61116582) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide
PubChem CID61116582
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1sccc1N
InChIInChI=1S/C16H20N2OS/c1-3-12(2)18(11-13-7-5-4-6-8-13)16(19)15-14(17)9-10-20-15/h4-10,12H,3,11,17H2,1-2H3
InChIKeyBRWKKPNWHSJIQK-UHFFFAOYSA-N
XLogP3.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide
CID 61105822
benzyl(butan-2-yl)carbamic acid
CID 18954164
2-(aminomethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119688844
methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate
CID 61109705
2-(2-aminoethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618164
N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55756219
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
N-benzyl-N-butan-2-yl-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625516
2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate
CID 79345421
N-benzyl-N-butan-2-yl-2,6-dimethylpyridine-3-carboxamide
CID 55875368
N-benzyl-N-butan-2-ylpentanamide
CID 78842113
N-benzyl-N-butan-2-yl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 55520934

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide (CID 61116582) is 3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide is CCC(C)N(Cc1ccccc1)C(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide?
The InChIKey is BRWKKPNWHSJIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-12(2)18(11-13-7-5-4-6-8-13)16(19)15-14(17)9-10-20-15/h4-10,12H,3,11,17H2,1-2H3.
What are the key properties of 3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide?
3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 61116582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).