N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide

C10H12ClNOS — CID 83768417

IUPACN-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)S
InChIInChI=1S/C10H12ClNOS/c1-6-8(11)4-3-5-9(6)12-10(13)7(2)14/h3-5,7,14H,1-2H3,(H,12,13)
InChIKeySJSWOOYJHWDLJN-UHFFFAOYSA-N
MW229.73 g/mol
LogP2.91
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide

N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide (PubChem CID 83768417) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide
PubChem CID83768417
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC NameN-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)S
InChIInChI=1S/C10H12ClNOS/c1-6-8(11)4-3-5-9(6)12-10(13)7(2)14/h3-5,7,14H,1-2H3,(H,12,13)
InChIKeySJSWOOYJHWDLJN-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-methyl-2-sulfanylbutanamide
CID 107020086
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-(3-chloro-2-methylphenyl)-2-methylbutanediamide
CID 82120222
(2R)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 54991184
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 28508515
2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide
CID 76892391
2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide
CID 55430532
3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide
CID 76926908
3-(3-chloro-2-methylanilino)-3-oxo-2-phenylpropanoic acid
CID 175133979
(2R)-2-(azocan-1-ium-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 9460387
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide (CID 83768417) is N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide is Cc1c(Cl)cccc1NC(=O)C(C)S.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide?
The InChIKey is SJSWOOYJHWDLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNOS/c1-6-8(11)4-3-5-9(6)12-10(13)7(2)14/h3-5,7,14H,1-2H3,(H,12,13).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide?
N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide has a molecular weight of 229.73 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide is sourced from PubChem (CID 83768417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).