N-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide

C11H14ClNOS — CID 114299364

IUPACN-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC(C)CCl
InChIInChI=1S/C11H14ClNOS/c1-8(7-12)13-11(14)9-5-3-4-6-10(9)15-2/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyJZTHVHUWOORUIN-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.77
Rot. Bonds4

About N-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide

N-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide (PubChem CID 114299364) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide
PubChem CID114299364
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC NameN-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC(C)CCl
InChIInChI=1S/C11H14ClNOS/c1-8(7-12)13-11(14)9-5-3-4-6-10(9)15-2/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyJZTHVHUWOORUIN-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide
CID 104873008
N-(1-chloropropan-2-yl)-2,3-difluorobenzamide
CID 114299570
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide
CID 79252526
N-(1-iodo-3-methylbutan-2-yl)-2-methylsulfanylbenzamide
CID 107860038
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide
CID 94623512
N-(1-chloropropan-2-yl)-2,3-dimethylbenzamide
CID 114299454
N-(1-chloropropan-2-yl)benzamide
CID 3683093
(2S,3S)-3-methyl-2-[(2-methylsulfanylbenzoyl)amino]pentanoic acid
CID 61137536
2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 39964497
N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
CID 120831488
N-butyl-2-methylsulfanylbenzamide
CID 59510338
N-(2-aminopropyl)-2-methylsulfanylbenzamide
CID 79218118

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide (CID 114299364) is N-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NC(C)CCl.
What is the InChIKey of N-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide?
The InChIKey is JZTHVHUWOORUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-8(7-12)13-11(14)9-5-3-4-6-10(9)15-2/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of N-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide?
N-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide has a molecular weight of 243.76 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 114299364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).