N-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide

C16H24N2O2S — CID 43005633

IUPACN-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCCC(C)NC(=O)C(C)SCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H24N2O2S/c1-5-12(3)17-16(20)13(4)21-10-15(19)18-14-8-6-11(2)7-9-14/h6-9,12-13H,5,10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyGVPYCMLPGCLZEW-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.97
Rot. Bonds7

About N-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide

N-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide (PubChem CID 43005633) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
PubChem CID43005633
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCCC(C)NC(=O)C(C)SCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H24N2O2S/c1-5-12(3)17-16(20)13(4)21-10-15(19)18-14-8-6-11(2)7-9-14/h6-9,12-13H,5,10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyGVPYCMLPGCLZEW-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide
CID 112766070
N-(1-methoxypropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 42988892
(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 9301686
N-(4-bromophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4535489
2-[(2R)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9180108
N-(2,6-diethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4257905
N-(1,1-diphenylpropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55589113
2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 47102669
2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoylamino]acetic acid
CID 119350440
2-[(2S,3R)-3-hydroxybutan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 96537329
N-(2,4-dimethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4257901
N-(3,5-difluorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 134061510

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
The IUPAC name of N-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide (CID 43005633) is N-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
The canonical SMILES for N-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide is CCC(C)NC(=O)C(C)SCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
The InChIKey is GVPYCMLPGCLZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-5-12(3)17-16(20)13(4)21-10-15(19)18-14-8-6-11(2)7-9-14/h6-9,12-13H,5,10H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
N-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide has a molecular weight of 308.45 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide is sourced from PubChem (CID 43005633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).