3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide

C13H22N2OS — CID 61105822

IUPAC3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide
SMILESCCCCN(C(=O)c1sccc1N)C(C)CC
InChIInChI=1S/C13H22N2OS/c1-4-6-8-15(10(3)5-2)13(16)12-11(14)7-9-17-12/h7,9-10H,4-6,8,14H2,1-3H3
InChIKeyWHVDQLMEUDOGGU-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.37
Rot. Bonds6

About 3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide

3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide (PubChem CID 61105822) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide
PubChem CID61105822
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide
SMILESCCCCN(C(=O)c1sccc1N)C(C)CC
InChIInChI=1S/C13H22N2OS/c1-4-6-8-15(10(3)5-2)13(16)12-11(14)7-9-17-12/h7,9-10H,4-6,8,14H2,1-3H3
InChIKeyWHVDQLMEUDOGGU-UHFFFAOYSA-N
XLogP3.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide
CID 61116582
3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide
CID 113447633
3-amino-N-methyl-N-propylthiophene-2-carboxamide
CID 61095360
6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide
CID 62186029
3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide
CID 112575515
3-amino-N-ethyl-N-propylthiophene-2-carboxamide
CID 61095166
N-butan-2-yl-N-butyl-2,6-dihydroxybenzamide
CID 107689251
4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664402
N-butan-2-yl-N-butyl-4-iodobenzamide
CID 60660036
3-amino-N,N-dimethylthiophene-2-carboxamide
CID 61092296
3-amino-N-[3-(dimethylamino)propyl]-N-methylthiophene-2-carboxamide
CID 63694246
5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62186030

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide (CID 61105822) is 3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide is CCCCN(C(=O)c1sccc1N)C(C)CC.
What is the InChIKey of 3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide?
The InChIKey is WHVDQLMEUDOGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-6-8-15(10(3)5-2)13(16)12-11(14)7-9-17-12/h7,9-10H,4-6,8,14H2,1-3H3.
What are the key properties of 3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide?
3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide has a molecular weight of 254.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide is sourced from PubChem (CID 61105822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).