2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide

C16H20N2OS — CID 119314161

IUPAC2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide
SMILESCCCC(N)C(=O)N(Cc1ccsc1)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-2-6-15(17)16(19)18(11-13-9-10-20-12-13)14-7-4-3-5-8-14/h3-5,7-10,12,15H,2,6,11,17H2,1H3
InChIKeyKMTTUQROLQVSJU-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.41
Rot. Bonds6

About 2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide

2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide (PubChem CID 119314161) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide
PubChem CID119314161
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide
SMILESCCCC(N)C(=O)N(Cc1ccsc1)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-2-6-15(17)16(19)18(11-13-9-10-20-12-13)14-7-4-3-5-8-14/h3-5,7-10,12,15H,2,6,11,17H2,1H3
InChIKeyKMTTUQROLQVSJU-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866
4-[N-(2-aminopentanoyl)anilino]butanoic acid
CID 61162052
4-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674156
trans-(1S,2S)-2-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129466411
2-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976864
7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide
CID 119767431
trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
CID 124591120
(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061
N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119314158
(3S)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592122
(3R)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592121
N-butyl-N-phenyl-3-thiophen-3-ylpropanamide
CID 78801804

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide?
The IUPAC name of 2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide (CID 119314161) is 2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide.
What is the SMILES notation for 2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide?
The canonical SMILES for 2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide is CCCC(N)C(=O)N(Cc1ccsc1)c1ccccc1.
What is the InChIKey of 2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide?
The InChIKey is KMTTUQROLQVSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-6-15(17)16(19)18(11-13-9-10-20-12-13)14-7-4-3-5-8-14/h3-5,7-10,12,15H,2,6,11,17H2,1H3.
What are the key properties of 2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide?
2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide has a molecular weight of 288.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide is sourced from PubChem (CID 119314161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).