5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide

C21H27N3O5S — CID 55408377

IUPAC5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(C)C(C)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C21H27N3O5S/c1-6-23(7-2)30(28,29)19-12-11-15(3)20(14-19)21(25)22(5)16(4)17-9-8-10-18(13-17)24(26)27/h8-14,16H,6-7H2,1-5H3
InChIKeyZRWIRKYWUVNKOW-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.77
Rot. Bonds8

About 5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide

5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide (PubChem CID 55408377) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
PubChem CID55408377
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(C)C(C)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C21H27N3O5S/c1-6-23(7-2)30(28,29)19-12-11-15(3)20(14-19)21(25)22(5)16(4)17-9-8-10-18(13-17)24(26)27/h8-14,16H,6-7H2,1-5H3
InChIKeyZRWIRKYWUVNKOW-UHFFFAOYSA-N
XLogP3.77
TPSA100.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 18278443
2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 18086811
3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55408224
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 51188228
N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide
CID 51222342
N-methyl-N-[1-(3-nitrophenyl)ethyl]-2-propylsulfonylpropanamide
CID 56789237
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
3-fluoro-N,4-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzenesulfonamide
CID 55689394
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]butanamide
CID 46457472
1-methyl-3-(2-methyl-5-nitrophenyl)-1-[1-(3-nitrophenyl)ethyl]urea
CID 55696959
(3S)-4,4,4-trifluoro-3-hydroxy-N,3-dimethyl-N-[(1R)-1-(3-nitrophenyl)ethyl]butanamide
CID 9076650
5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55675449

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide (CID 55408377) is 5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(C)C(C)c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
The InChIKey is ZRWIRKYWUVNKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-6-23(7-2)30(28,29)19-12-11-15(3)20(14-19)21(25)22(5)16(4)17-9-8-10-18(13-17)24(26)27/h8-14,16H,6-7H2,1-5H3.
What are the key properties of 5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide has a molecular weight of 433.53 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide is sourced from PubChem (CID 55408377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).