N-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide

C19H23N3O3S — CID 119419433

IUPACN-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)SCC(=O)Nc2ccc(C)cc2)cc1N
InChIInChI=1S/C19H23N3O3S/c1-12-4-6-14(7-5-12)21-18(23)11-26-13(2)19(24)22-15-8-9-17(25-3)16(20)10-15/h4-10,13H,11,20H2,1-3H3,(H,21,23)(H,22,24)
InChIKeySDEKEFVNHLKKRN-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.28
Rot. Bonds7

About N-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide

N-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide (PubChem CID 119419433) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
PubChem CID119419433
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)SCC(=O)Nc2ccc(C)cc2)cc1N
InChIInChI=1S/C19H23N3O3S/c1-12-4-6-14(7-5-12)21-18(23)11-26-13(2)19(24)22-15-8-9-17(25-3)16(20)10-15/h4-10,13H,11,20H2,1-3H3,(H,21,23)(H,22,24)
InChIKeySDEKEFVNHLKKRN-UHFFFAOYSA-N
XLogP3.28
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55657173
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 4062255
N-(3-chloro-4-methoxyphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639801
3-[[(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoyl]amino]benzamide
CID 26700100
N-(4-bromophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4535489
(2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide
CID 8762275
N-(3,5-difluorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 134061510
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7730491
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
N-(2,4-dimethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4257901
2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 47102669
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9458010

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide (CID 119419433) is N-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide is COc1ccc(NC(=O)C(C)SCC(=O)Nc2ccc(C)cc2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
The InChIKey is SDEKEFVNHLKKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12-4-6-14(7-5-12)21-18(23)11-26-13(2)19(24)22-15-8-9-17(25-3)16(20)10-15/h4-10,13H,11,20H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
N-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide has a molecular weight of 373.48 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide is sourced from PubChem (CID 119419433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).