N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide

C17H25NOS — CID 107020965

IUPACN-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide
SMILESCCN(C(=O)C(S)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NOS/c1-2-18(15-11-7-4-8-12-15)17(19)16(20)13-14-9-5-3-6-10-14/h3,5-6,9-10,15-16,20H,2,4,7-8,11-13H2,1H3
InChIKeyVUZYDMKMKVAOAT-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.71
Rot. Bonds5

About N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide

N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide (PubChem CID 107020965) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide
PubChem CID107020965
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC NameN-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide
SMILESCCN(C(=O)C(S)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NOS/c1-2-18(15-11-7-4-8-12-15)17(19)16(20)13-14-9-5-3-6-10-14/h3,5-6,9-10,15-16,20H,2,4,7-8,11-13H2,1H3
InChIKeyVUZYDMKMKVAOAT-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride
CID 56831881
N-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide
CID 107022432
N-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide
CID 107036755
N-cyclohexyl-N-ethyl-2,2-diphenylacetamide
CID 21210383
(2R)-2-amino-N-cyclohexyl-N-ethyl-2-phenylacetamide
CID 61148081
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide
CID 107023150
3-phenyl-N,N-dipropyl-2-sulfanylpropanamide
CID 107019704
(2R)-2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 78985362
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol
CID 112811309
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549
2-amino-N-cyclohexyl-N-ethylbutanamide
CID 43649420

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide (CID 107020965) is N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide is CCN(C(=O)C(S)Cc1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide?
The InChIKey is VUZYDMKMKVAOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-2-18(15-11-7-4-8-12-15)17(19)16(20)13-14-9-5-3-6-10-14/h3,5-6,9-10,15-16,20H,2,4,7-8,11-13H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide?
N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide has a molecular weight of 291.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107020965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).