2-(1-aminocyclohexyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide

C17H24N2OS — CID 64683280

IUPAC2-(1-aminocyclohexyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
SMILESC=CCSc1ccccc1NC(=O)CC1(N)CCCCC1
InChIInChI=1S/C17H24N2OS/c1-2-12-21-15-9-5-4-8-14(15)19-16(20)13-17(18)10-6-3-7-11-17/h2,4-5,8-9H,1,3,6-7,10-13,18H2,(H,19,20)
InChIKeyUWPWQWLQFDKXJX-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.95
Rot. Bonds6

About 2-(1-aminocyclohexyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide

2-(1-aminocyclohexyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide (PubChem CID 64683280) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
PubChem CID64683280
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-(1-aminocyclohexyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
SMILESC=CCSc1ccccc1NC(=O)CC1(N)CCCCC1
InChIInChI=1S/C17H24N2OS/c1-2-12-21-15-9-5-4-8-14(15)19-16(20)13-17(18)10-6-3-7-11-17/h2,4-5,8-9H,1,3,6-7,10-13,18H2,(H,19,20)
InChIKeyUWPWQWLQFDKXJX-UHFFFAOYSA-N
XLogP3.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-(2-prop-2-enylsulfanylphenyl)cyclohexane-1-carboxamide
CID 115437461
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
3-amino-N-(2-prop-2-enylsulfanylphenyl)oxolane-3-carboxamide
CID 64892131
3-oxo-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 54867229
2-(1-aminocyclopentyl)-N-(2-fluorophenyl)acetamide
CID 64685138
2-(1-aminocyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 64685514
5-amino-4-methyl-N-(2-prop-2-enylsulfanylphenyl)pentanamide
CID 82012481
2-(1-aminocyclohexyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 64684367
ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate
CID 60661108
[1-[(2-prop-2-enylsulfanylanilino)methyl]cyclohexyl]methanol
CID 81419409
(2S)-2-amino-3,3-dimethyl-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 61179400
2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 86928063

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide (CID 64683280) is 2-(1-aminocyclohexyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide is C=CCSc1ccccc1NC(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The InChIKey is UWPWQWLQFDKXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-2-12-21-15-9-5-4-8-14(15)19-16(20)13-17(18)10-6-3-7-11-17/h2,4-5,8-9H,1,3,6-7,10-13,18H2,(H,19,20).
What are the key properties of 2-(1-aminocyclohexyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
2-(1-aminocyclohexyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide has a molecular weight of 304.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(2-prop-2-enylsulfanylphenyl)acetamide is sourced from PubChem (CID 64683280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).