2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide

C12H18N2OS — CID 115740490

IUPAC2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide
SMILESCSCC(C)NC(=O)CNc1ccccc1
InChIInChI=1S/C12H18N2OS/c1-10(9-16-2)14-12(15)8-13-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,14,15)
InChIKeyNWRYPUWPHXHAPJ-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.97
Rot. Bonds6

About 2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide

2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide (PubChem CID 115740490) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide
PubChem CID115740490
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide
SMILESCSCC(C)NC(=O)CNc1ccccc1
InChIInChI=1S/C12H18N2OS/c1-10(9-16-2)14-12(15)8-13-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,14,15)
InChIKeyNWRYPUWPHXHAPJ-UHFFFAOYSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-(1-hydroxypropan-2-yl)acetamide
CID 60862778
2-anilino-N-(4-hydroxypentan-2-yl)acetamide
CID 113376266
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
(2R)-2-[(2-anilinoacetyl)amino]propanamide
CID 173385485
2-[(2-anilinoacetyl)amino]propanamide
CID 22166450
2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide
CID 60860440
(2S,3R)-2-[(2-anilinoacetyl)amino]-3-hydroxybutanoic acid
CID 104965238
2-anilino-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 60861599
3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide
CID 61022348
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
2-[(2-anilinoacetyl)amino]-3-methylbutanamide
CID 113248506
(2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid
CID 61161925

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide?
The IUPAC name of 2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide (CID 115740490) is 2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide.
What is the SMILES notation for 2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide?
The canonical SMILES for 2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide is CSCC(C)NC(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide?
The InChIKey is NWRYPUWPHXHAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-10(9-16-2)14-12(15)8-13-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,14,15).
What are the key properties of 2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide?
2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide has a molecular weight of 238.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide is sourced from PubChem (CID 115740490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).