(2S)-N-methyl-N,3-diphenyl-2-[[2-(1-phenylpropan-2-yl)hydrazinyl]sulfanylamino]propanamide

C25H30N4OS — CID 145175986

IUPAC(2S)-N-methyl-N,3-diphenyl-2-[[2-(1-phenylpropan-2-yl)hydrazinyl]sulfanylamino]propanamide
SMILESCC(Cc1ccccc1)NNSN[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C25H30N4OS/c1-20(18-21-12-6-3-7-13-21)26-28-31-27-24(19-22-14-8-4-9-15-22)25(30)29(2)23-16-10-5-11-17-23/h3-17,20,24,26-28H,18-19H2,1-2H3/t20?,24-/m0/s1
InChIKeyNJZFHJWUZMNOJX-JWIMYKKASA-N
MW434.61 g/mol
LogP4.14
Rot. Bonds11

About (2S)-N-methyl-N,3-diphenyl-2-[[2-(1-phenylpropan-2-yl)hydrazinyl]sulfanylamino]propanamide

(2S)-N-methyl-N,3-diphenyl-2-[[2-(1-phenylpropan-2-yl)hydrazinyl]sulfanylamino]propanamide (PubChem CID 145175986) has the molecular formula C25H30N4OS and a molecular weight of 434.61 g/mol. Its IUPAC name is (2S)-N-methyl-N,3-diphenyl-2-[[2-(1-phenylpropan-2-yl)hydrazinyl]sulfanylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-N,3-diphenyl-2-[[2-(1-phenylpropan-2-yl)hydrazinyl]sulfanylamino]propanamide
PubChem CID145175986
Molecular FormulaC25H30N4OS
Molecular Weight434.61 g/mol
Exact Mass434.21
IUPAC Name(2S)-N-methyl-N,3-diphenyl-2-[[2-(1-phenylpropan-2-yl)hydrazinyl]sulfanylamino]propanamide
SMILESCC(Cc1ccccc1)NNSN[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C25H30N4OS/c1-20(18-21-12-6-3-7-13-21)26-28-31-27-24(19-22-14-8-4-9-15-22)25(30)29(2)23-16-10-5-11-17-23/h3-17,20,24,26-28H,18-19H2,1-2H3/t20?,24-/m0/s1
InChIKeyNJZFHJWUZMNOJX-JWIMYKKASA-N
XLogP4.14
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-N-methyl-N,3-diphenyl-2-[[2-(1-phenylpropan-2-yl)hydrazinyl]sulfanylamino]propanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 71999049
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8937671
tert-butyl N-[1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 42943863
4-(methylamino)-N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 119805944
4-(methylamino)-N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]butanamide;hydrochloride
CID 119805943
N'-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]propanediamide
CID 134344773
1-N,4-N-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzene-1,4-dicarboxamide
CID 122647174
1-methyl-2-(1-phenylpropan-2-yl)hydrazine
CID 26556
N-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)-3-phenylpropanamide
CID 144835962
(2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide
CID 71596203
N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide
CID 162471156
4-phenyl-3-(propan-2-ylamino)butan-2-one
CID 70861982

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N,3-diphenyl-2-[[2-(1-phenylpropan-2-yl)hydrazinyl]sulfanylamino]propanamide?
The IUPAC name of (2S)-N-methyl-N,3-diphenyl-2-[[2-(1-phenylpropan-2-yl)hydrazinyl]sulfanylamino]propanamide (CID 145175986) is (2S)-N-methyl-N,3-diphenyl-2-[[2-(1-phenylpropan-2-yl)hydrazinyl]sulfanylamino]propanamide.
What is the SMILES notation for (2S)-N-methyl-N,3-diphenyl-2-[[2-(1-phenylpropan-2-yl)hydrazinyl]sulfanylamino]propanamide?
The canonical SMILES for (2S)-N-methyl-N,3-diphenyl-2-[[2-(1-phenylpropan-2-yl)hydrazinyl]sulfanylamino]propanamide is CC(Cc1ccccc1)NNSN[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of (2S)-N-methyl-N,3-diphenyl-2-[[2-(1-phenylpropan-2-yl)hydrazinyl]sulfanylamino]propanamide?
The InChIKey is NJZFHJWUZMNOJX-JWIMYKKASA-N. The full InChI is InChI=1S/C25H30N4OS/c1-20(18-21-12-6-3-7-13-21)26-28-31-27-24(19-22-14-8-4-9-15-22)25(30)29(2)23-16-10-5-11-17-23/h3-17,20,24,26-28H,18-19H2,1-2H3/t20?,24-/m0/s1.
What are the key properties of (2S)-N-methyl-N,3-diphenyl-2-[[2-(1-phenylpropan-2-yl)hydrazinyl]sulfanylamino]propanamide?
(2S)-N-methyl-N,3-diphenyl-2-[[2-(1-phenylpropan-2-yl)hydrazinyl]sulfanylamino]propanamide has a molecular weight of 434.61 g/mol, XLogP of 4.14, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N,3-diphenyl-2-[[2-(1-phenylpropan-2-yl)hydrazinyl]sulfanylamino]propanamide is sourced from PubChem (CID 145175986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).