(4S)-N-benzyl-4-hydroxy-7-thiophen-2-ylheptanamide

C18H23NO2S — CID 134962447

IUPAC(4S)-N-benzyl-4-hydroxy-7-thiophen-2-ylheptanamide
SMILESO=C(CC[C@@H](O)CCCc1cccs1)NCc1ccccc1
InChIInChI=1S/C18H23NO2S/c20-16(8-4-9-17-10-5-13-22-17)11-12-18(21)19-14-15-6-2-1-3-7-15/h1-3,5-7,10,13,16,20H,4,8-9,11-12,14H2,(H,19,21)/t16-/m0/s1
InChIKeyKXNYHJYYZBHJDW-INIZCTEOSA-N
MW317.45 g/mol
LogP3.53
Rot. Bonds9

About (4S)-N-benzyl-4-hydroxy-7-thiophen-2-ylheptanamide

(4S)-N-benzyl-4-hydroxy-7-thiophen-2-ylheptanamide (PubChem CID 134962447) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is (4S)-N-benzyl-4-hydroxy-7-thiophen-2-ylheptanamide.

Molecular Properties

Compound Name(4S)-N-benzyl-4-hydroxy-7-thiophen-2-ylheptanamide
PubChem CID134962447
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name(4S)-N-benzyl-4-hydroxy-7-thiophen-2-ylheptanamide
SMILESO=C(CC[C@@H](O)CCCc1cccs1)NCc1ccccc1
InChIInChI=1S/C18H23NO2S/c20-16(8-4-9-17-10-5-13-22-17)11-12-18(21)19-14-15-6-2-1-3-7-15/h1-3,5-7,10,13,16,20H,4,8-9,11-12,14H2,(H,19,21)/t16-/m0/s1
InChIKeyKXNYHJYYZBHJDW-INIZCTEOSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
(1S,2S)-2-Thiophen-2-yl-cyclopropanecarboxylic acid [(R)-2-hydroxy-1-(4'-methyl-biphenyl-4-yl)-ethyl]-amide
CID 51348522
N-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide
CID 7243529
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(thiophen-2-yl)cyclohexylamino)butan-2-yl)acetamide
CID 52947441
trans-(1S,2S)-N-[(1R)-1-[4-(4-ethylphenyl)phenyl]-2-hydroxyethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 51348365
trans-(1R,2R)-N-[(1R)-2-hydroxy-1-[4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 51348370
N-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide
CID 7243515
N-(1-phenylethyl)-4-(thiophen-2-yl)oxane-4-carboxamide
CID 12005899
N-(1-hydroxy-2-oxo-2-phenylethyl)thiophene-2-carboxamide
CID 3126650
CID 23585975
CID 23585975
3-(4-Methylphenyl)-3-(3-thiophen-2-ylpropanoylamino)propanoic acid
CID 16327463
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide
CID 52992675

Frequently Asked Questions

What is the IUPAC name of (4S)-N-benzyl-4-hydroxy-7-thiophen-2-ylheptanamide?
The IUPAC name of (4S)-N-benzyl-4-hydroxy-7-thiophen-2-ylheptanamide (CID 134962447) is (4S)-N-benzyl-4-hydroxy-7-thiophen-2-ylheptanamide.
What is the SMILES notation for (4S)-N-benzyl-4-hydroxy-7-thiophen-2-ylheptanamide?
The canonical SMILES for (4S)-N-benzyl-4-hydroxy-7-thiophen-2-ylheptanamide is O=C(CC[C@@H](O)CCCc1cccs1)NCc1ccccc1.
What is the InChIKey of (4S)-N-benzyl-4-hydroxy-7-thiophen-2-ylheptanamide?
The InChIKey is KXNYHJYYZBHJDW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23NO2S/c20-16(8-4-9-17-10-5-13-22-17)11-12-18(21)19-14-15-6-2-1-3-7-15/h1-3,5-7,10,13,16,20H,4,8-9,11-12,14H2,(H,19,21)/t16-/m0/s1.
What are the key properties of (4S)-N-benzyl-4-hydroxy-7-thiophen-2-ylheptanamide?
(4S)-N-benzyl-4-hydroxy-7-thiophen-2-ylheptanamide has a molecular weight of 317.45 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-benzyl-4-hydroxy-7-thiophen-2-ylheptanamide is sourced from PubChem (CID 134962447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).