N-(1-methoxypropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide

C16H24N2O3S — CID 42988892

IUPACN-(1-methoxypropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCOCC(C)NC(=O)C(C)SCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H24N2O3S/c1-11-5-7-14(8-6-11)18-15(19)10-22-13(3)16(20)17-12(2)9-21-4/h5-8,12-13H,9-10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyGEMIIHRWSDUKHD-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.21
Rot. Bonds8

About N-(1-methoxypropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide

N-(1-methoxypropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide (PubChem CID 42988892) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
PubChem CID42988892
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(1-methoxypropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCOCC(C)NC(=O)C(C)SCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H24N2O3S/c1-11-5-7-14(8-6-11)18-15(19)10-22-13(3)16(20)17-12(2)9-21-4/h5-8,12-13H,9-10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyGEMIIHRWSDUKHD-UHFFFAOYSA-N
XLogP2.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 43005633
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide
CID 112766070
(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-(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-(2,6-diethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4257905
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-(1-methoxypropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide (CID 42988892) is N-(1-methoxypropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide is COCC(C)NC(=O)C(C)SCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
The InChIKey is GEMIIHRWSDUKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11-5-7-14(8-6-11)18-15(19)10-22-13(3)16(20)17-12(2)9-21-4/h5-8,12-13H,9-10H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
N-(1-methoxypropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide has a molecular weight of 324.45 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide is sourced from PubChem (CID 42988892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).