7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide

C18H24N2OS — CID 119767431

IUPAC7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide
SMILESNCCCCCCC(=O)N(Cc1ccsc1)c1ccccc1
InChIInChI=1S/C18H24N2OS/c19-12-7-2-1-6-10-18(21)20(14-16-11-13-22-15-16)17-8-4-3-5-9-17/h3-5,8-9,11,13,15H,1-2,6-7,10,12,14,19H2
InChIKeyJADALKKGRSYQKB-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.19
Rot. Bonds9

About 7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide

7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide (PubChem CID 119767431) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide
PubChem CID119767431
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide
SMILESNCCCCCCC(=O)N(Cc1ccsc1)c1ccccc1
InChIInChI=1S/C18H24N2OS/c19-12-7-2-1-6-10-18(21)20(14-16-11-13-22-15-16)17-8-4-3-5-9-17/h3-5,8-9,11,13,15H,1-2,6-7,10,12,14,19H2
InChIKeyJADALKKGRSYQKB-UHFFFAOYSA-N
XLogP4.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide
CID 119696693
N-benzyl-5-hydroxy-N-phenylpentanamide
CID 79194764
N-butyl-N-phenyl-3-thiophen-3-ylpropanamide
CID 78801804
N-benzyl-4-hydroxy-N-phenylbutanamide
CID 79191710
2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide
CID 119314161
6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide
CID 5094204
trans-(1S,2S)-2-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129466411
4-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674156
2-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976864
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 24555383
4-amino-N-ethyl-N-phenylbutanamide;hydrochloride
CID 119261842
7-amino-N-(thiophen-3-ylmethyl)heptanamide
CID 63246456

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide?
The IUPAC name of 7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide (CID 119767431) is 7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide.
What is the SMILES notation for 7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide?
The canonical SMILES for 7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide is NCCCCCCC(=O)N(Cc1ccsc1)c1ccccc1.
What is the InChIKey of 7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide?
The InChIKey is JADALKKGRSYQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c19-12-7-2-1-6-10-18(21)20(14-16-11-13-22-15-16)17-8-4-3-5-9-17/h3-5,8-9,11,13,15H,1-2,6-7,10,12,14,19H2.
What are the key properties of 7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide?
7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide has a molecular weight of 316.47 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide is sourced from PubChem (CID 119767431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).