3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide

C25H26N4O4S — CID 35508229

IUPAC3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc21
InChIInChI=1S/C25H26N4O4S/c1-4-29-22-11-6-5-10-20(22)21-15-18(12-13-23(21)29)27-24(30)16-26-25(31)17-8-7-9-19(14-17)34(32,33)28(2)3/h5-15H,4,16H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyJONQOXDPWQHSTL-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.43
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide

3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide (PubChem CID 35508229) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide
PubChem CID35508229
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC Name3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc21
InChIInChI=1S/C25H26N4O4S/c1-4-29-22-11-6-5-10-20(22)21-15-18(12-13-23(21)29)27-24(30)16-26-25(31)17-8-7-9-19(14-17)34(32,33)28(2)3/h5-15H,4,16H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyJONQOXDPWQHSTL-UHFFFAOYSA-N
XLogP3.43
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide
CID 8623572
N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-3,4-difluorobenzamide
CID 60550642
N-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 4788124
2-[benzenesulfonyl(ethyl)amino]-N-(9-ethylcarbazol-3-yl)acetamide
CID 45372945
N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 9261099
3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 18114783
3-(dimethylsulfamoyl)-N-(9-ethylcarbazol-3-yl)-4-methoxybenzamide
CID 45374091
N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55789946
3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 24648924
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
N-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 45372888

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide (CID 35508229) is 3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide is CCn1c2ccccc2c2cc(NC(=O)CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc21.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is JONQOXDPWQHSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-4-29-22-11-6-5-10-20(22)21-15-18(12-13-23(21)29)27-24(30)16-26-25(31)17-8-7-9-19(14-17)34(32,33)28(2)3/h5-15H,4,16H2,1-3H3,(H,26,31)(H,27,30).
What are the key properties of 3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide?
3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 478.57 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 35508229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).