N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide

C16H23NOS — CID 107026531

IUPACN-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide
SMILESCC(C)CCN(C(=O)Cc1ccc(S)cc1)C1CC1
InChIInChI=1S/C16H23NOS/c1-12(2)9-10-17(14-5-6-14)16(18)11-13-3-7-15(19)8-4-13/h3-4,7-8,12,14,19H,5-6,9-11H2,1-2H3
InChIKeyALINRAPJNYJJTQ-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.55
Rot. Bonds6

About N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide

N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107026531) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107026531
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide
SMILESCC(C)CCN(C(=O)Cc1ccc(S)cc1)C1CC1
InChIInChI=1S/C16H23NOS/c1-12(2)9-10-17(14-5-6-14)16(18)11-13-3-7-15(19)8-4-13/h3-4,7-8,12,14,19H,5-6,9-11H2,1-2H3
InChIKeyALINRAPJNYJJTQ-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.55
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

N-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide
CID 107032471
2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 78990662
N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 86924480
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide
CID 107026530
2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 63679316
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide
CID 107026216
4-(bromomethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 102851269
4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 54875046
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 78974447
N-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 86985273
5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60733156
N-cyclopropyl-N-(3-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604340

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide (CID 107026531) is N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide is CC(C)CCN(C(=O)Cc1ccc(S)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is ALINRAPJNYJJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-12(2)9-10-17(14-5-6-14)16(18)11-13-3-7-15(19)8-4-13/h3-4,7-8,12,14,19H,5-6,9-11H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide?
N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 277.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107026531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).