(3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide

C17H19N3O3S — CID 177455956

IUPAC(3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide
SMILESCc1ccc(S(=O)(=O)/N=C(\N)CC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C17H19N3O3S/c1-12-7-9-14(10-8-12)24(22,23)20-16(18)11-17(21)19-15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeySFUZKSJVNRVLJA-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.38
Rot. Bonds5

About (3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide

(3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide (PubChem CID 177455956) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is (3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide
PubChem CID177455956
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name(3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide
SMILESCc1ccc(S(=O)(=O)/N=C(\N)CC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C17H19N3O3S/c1-12-7-9-14(10-8-12)24(22,23)20-16(18)11-17(21)19-15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeySFUZKSJVNRVLJA-UHFFFAOYSA-N
XLogP2.38
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
N-(2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 7026017
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
3-hydroxy-3-methyl-N'-(4-methylphenyl)sulfonylbutanimidamide
CID 158662021
[2-(2-methylanilino)-2-oxoethyl] N'-aminocarbamimidothioate
CID 77061102
ethyl N-(2,6-dimethylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidate
CID 138975302
(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide
CID 155906264
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
(2-methylphenyl)urea;phosphane
CID 175888509
2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide
CID 81187980
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996092

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide?
The IUPAC name of (3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide (CID 177455956) is (3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide is Cc1ccc(S(=O)(=O)/N=C(\N)CC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of (3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide?
The InChIKey is SFUZKSJVNRVLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12-7-9-14(10-8-12)24(22,23)20-16(18)11-17(21)19-15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of (3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide?
(3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide has a molecular weight of 345.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide is sourced from PubChem (CID 177455956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).