N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide

C12H16ClNOS — CID 115167558

IUPACN-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
SMILESCC(C)(CNC(=O)CS)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNOS/c1-12(2,8-14-11(15)7-16)9-3-5-10(13)6-4-9/h3-6,16H,7-8H2,1-2H3,(H,14,15)
InChIKeySJIDDDNKUHMZCS-UHFFFAOYSA-N
MW257.79 g/mol
LogP2.66
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide

N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide (PubChem CID 115167558) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
PubChem CID115167558
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC NameN-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
SMILESCC(C)(CNC(=O)CS)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNOS/c1-12(2,8-14-11(15)7-16)9-3-5-10(13)6-4-9/h3-6,16H,7-8H2,1-2H3,(H,14,15)
InChIKeySJIDDDNKUHMZCS-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 52.66
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

3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
CID 110480800
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119738056
7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide
CID 119738039
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 110460951
2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119738044
4-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120560827
methyl 2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142659
2-(2-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 113090396
3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea
CID 60547202
1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea
CID 113213436
1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea
CID 47307554
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 47317277

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide (CID 115167558) is N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide is CC(C)(CNC(=O)CS)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide?
The InChIKey is SJIDDDNKUHMZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-12(2,8-14-11(15)7-16)9-3-5-10(13)6-4-9/h3-6,16H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide?
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide has a molecular weight of 257.79 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide is sourced from PubChem (CID 115167558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).