2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide

C15H20ClNOS — CID 107026530

IUPAC2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide
SMILESCC(C)CCN(C(=O)c1cc(S)ccc1Cl)C1CC1
InChIInChI=1S/C15H20ClNOS/c1-10(2)7-8-17(11-3-4-11)15(18)13-9-12(19)5-6-14(13)16/h5-6,9-11,19H,3-4,7-8H2,1-2H3
InChIKeyJRXAUKDJTCBFBN-UHFFFAOYSA-N
MW297.85 g/mol
LogP4.28
Rot. Bonds5

About 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide

2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide (PubChem CID 107026530) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide
PubChem CID107026530
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC Name2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide
SMILESCC(C)CCN(C(=O)c1cc(S)ccc1Cl)C1CC1
InChIInChI=1S/C15H20ClNOS/c1-10(2)7-8-17(11-3-4-11)15(18)13-9-12(19)5-6-14(13)16/h5-6,9-11,19H,3-4,7-8H2,1-2H3
InChIKeyJRXAUKDJTCBFBN-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 54.28
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-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide
CID 107032474
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide
CID 60732997
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide
CID 78888779
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55774441
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 113228627
N-cyclopropyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 113224066
5-chloro-N-cyclopentyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 112725848
N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide
CID 107026531
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 60782353
2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide
CID 107032458
2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide
CID 107030501
N-cyclopropyl-2-hydrazinyl-5-methyl-N-(3-methylbutyl)benzamide
CID 78991041

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide (CID 107026530) is 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide is CC(C)CCN(C(=O)c1cc(S)ccc1Cl)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide?
The InChIKey is JRXAUKDJTCBFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNOS/c1-10(2)7-8-17(11-3-4-11)15(18)13-9-12(19)5-6-14(13)16/h5-6,9-11,19H,3-4,7-8H2,1-2H3.
What are the key properties of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide?
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide has a molecular weight of 297.85 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107026530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).