N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide

C12H17NOS — CID 107019509

IUPACN-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide
SMILESCC(C)CNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C12H17NOS/c1-9(2)8-13-12(14)7-10-3-5-11(15)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H,13,14)
InChIKeyLRDQMAWWPBVJEJ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.29
Rot. Bonds4

About N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide

N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107019509) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107019509
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide
SMILESCC(C)CNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C12H17NOS/c1-9(2)8-13-12(14)7-10-3-5-11(15)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H,13,14)
InChIKeyLRDQMAWWPBVJEJ-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.29
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

2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107023123
N-(2-methylpropyl)-2-pyridin-4-ylacetamide
CID 78975326
N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 110771379
2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
N-(2-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 43418404
N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)acetamide
CID 83032531
N-methyl-3-[[2-(4-sulfanylphenyl)acetyl]amino]propanamide
CID 107027277
N-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide
CID 46045366
2-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]-5-sulfanylbenzamide
CID 107034416
2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide
CID 110486765
N-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107034090

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide (CID 107019509) is N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide is CC(C)CNC(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is LRDQMAWWPBVJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9(2)8-13-12(14)7-10-3-5-11(15)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H,13,14).
What are the key properties of N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide?
N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 223.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107019509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).