3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide

C18H27NOS — CID 107033557

IUPAC3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide
SMILESCC(C)C1CCCCC1NC(=O)C(S)Cc1ccccc1
InChIInChI=1S/C18H27NOS/c1-13(2)15-10-6-7-11-16(15)19-18(20)17(21)12-14-8-4-3-5-9-14/h3-5,8-9,13,15-17,21H,6-7,10-12H2,1-2H3,(H,19,20)
InChIKeyZXKDRYHZMZWOMI-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.86
Rot. Bonds5

About 3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide

3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide (PubChem CID 107033557) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is 3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide.

Molecular Properties

Compound Name3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide
PubChem CID107033557
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide
SMILESCC(C)C1CCCCC1NC(=O)C(S)Cc1ccccc1
InChIInChI=1S/C18H27NOS/c1-13(2)15-10-6-7-11-16(15)19-18(20)17(21)12-14-8-4-3-5-9-14/h3-5,8-9,13,15-17,21H,6-7,10-12H2,1-2H3,(H,19,20)
InChIKeyZXKDRYHZMZWOMI-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide
CID 107027061
N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107036327
N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107023317
N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide
CID 107030989
(2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol
CID 104926144
N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107019674
(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
CID 107221661
N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide
CID 107031624
(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide
CID 96532946
2-methyl-N-[(2S)-1-[[(1S,2S)-2-[[(2S)-2-(2-methylprop-2-enoylamino)-3-phenylpropanoyl]amino]cyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide
CID 101156220
2-[(3S,7R)-7-methyl-2-oxo-3-[[(2R)-3-phenyl-2-sulfanylpropanoyl]amino]azepan-1-yl]acetic acid
CID 89122038
3-[(3S)-2-oxo-3-[[(2R)-3-phenyl-2-sulfanylpropanoyl]amino]azepan-1-yl]propanoic acid
CID 57132142

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide?
The IUPAC name of 3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide (CID 107033557) is 3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide.
What is the SMILES notation for 3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide?
The canonical SMILES for 3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide is CC(C)C1CCCCC1NC(=O)C(S)Cc1ccccc1.
What is the InChIKey of 3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide?
The InChIKey is ZXKDRYHZMZWOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c1-13(2)15-10-6-7-11-16(15)19-18(20)17(21)12-14-8-4-3-5-9-14/h3-5,8-9,13,15-17,21H,6-7,10-12H2,1-2H3,(H,19,20).
What are the key properties of 3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide?
3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide has a molecular weight of 305.49 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide is sourced from PubChem (CID 107033557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).