N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide

C16H20N2OS — CID 119494952

IUPACN-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)NCCC(C)N)cc1
InChIInChI=1S/C16H20N2OS/c1-11-3-5-13(6-4-11)14-8-10-20-15(14)16(19)18-9-7-12(2)17/h3-6,8,10,12H,7,9,17H2,1-2H3,(H,18,19)
InChIKeyACLLQCQQWNGQSQ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.19
Rot. Bonds5

About N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide

N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 119494952) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID119494952
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)NCCC(C)N)cc1
InChIInChI=1S/C16H20N2OS/c1-11-3-5-13(6-4-11)14-8-10-20-15(14)16(19)18-9-7-12(2)17/h3-6,8,10,12H,7,9,17H2,1-2H3,(H,18,19)
InChIKeyACLLQCQQWNGQSQ-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
CID 119497469
N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119500045
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide
CID 9399962
N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide
CID 38275560
3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 51206987
N-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide
CID 119495837
N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 51256105
(2S)-4-methyl-2-[[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]acetyl]amino]pentanoic acid
CID 120694342
N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 112817740
3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55461142
N-(3-aminobutyl)-2,4-dimethylbenzamide
CID 63254051

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide (CID 119494952) is N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)NCCC(C)N)cc1.
What is the InChIKey of N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is ACLLQCQQWNGQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-3-5-13(6-4-11)14-8-10-20-15(14)16(19)18-9-7-12(2)17/h3-6,8,10,12H,7,9,17H2,1-2H3,(H,18,19).
What are the key properties of N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 119494952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).