N-[4-[(Z)-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide

C19H23N5O3S2 — CID 6092962

IUPACN-[4-[(Z)-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=N\NC(=S)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1
InChIInChI=1S/C19H23N5O3S2/c1-13-5-10-17(29(26,27)24(3)4)11-18(13)22-19(28)23-20-12-15-6-8-16(9-7-15)21-14(2)25/h5-12H,1-4H3,(H,21,25)(H2,22,23,28)/b20-12-
InChIKeyIKZOCTPCZRFGNH-NDENLUEZSA-N
MW433.56 g/mol
LogP2.52
Rot. Bonds6

About N-[4-[(Z)-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide

N-[4-[(Z)-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide (PubChem CID 6092962) has the molecular formula C19H23N5O3S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[4-[(Z)-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(Z)-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide
PubChem CID6092962
Molecular FormulaC19H23N5O3S2
Molecular Weight433.56 g/mol
Exact Mass433.12
IUPAC NameN-[4-[(Z)-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=N\NC(=S)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1
InChIInChI=1S/C19H23N5O3S2/c1-13-5-10-17(29(26,27)24(3)4)11-18(13)22-19(28)23-20-12-15-6-8-16(9-7-15)21-14(2)25/h5-12H,1-4H3,(H,21,25)(H2,22,23,28)/b20-12-
InChIKeyIKZOCTPCZRFGNH-NDENLUEZSA-N
XLogP2.52
TPSA102.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(prop-2-enylamino)acetamide
CID 78908238
N-[4-[(Z)-[[2-(trifluoromethyl)phenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide
CID 7937343
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
1-(2,6-diethylphenyl)-3-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylamino]thiourea
CID 3562315
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[ethylsulfonyl(methyl)amino]acetamide
CID 100784760
N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100477
N-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide
CID 5131994
1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea
CID 5165237
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627
N-[4-[(octadecylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide
CID 3893705

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(Z)-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide (CID 6092962) is N-[4-[(Z)-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(Z)-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(Z)-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=N\NC(=S)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1.
What is the InChIKey of N-[4-[(Z)-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide?
The InChIKey is IKZOCTPCZRFGNH-NDENLUEZSA-N. The full InChI is InChI=1S/C19H23N5O3S2/c1-13-5-10-17(29(26,27)24(3)4)11-18(13)22-19(28)23-20-12-15-6-8-16(9-7-15)21-14(2)25/h5-12H,1-4H3,(H,21,25)(H2,22,23,28)/b20-12-.
What are the key properties of N-[4-[(Z)-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide?
N-[4-[(Z)-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide has a molecular weight of 433.56 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide is sourced from PubChem (CID 6092962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).