N-[(4-ethylsulfonylphenyl)methyl]-9-propylcarbazole-3-carboxamide

C25H26N2O3S — CID 137400229

IUPACN-[(4-ethylsulfonylphenyl)methyl]-9-propylcarbazole-3-carboxamide
SMILESCCCn1c2ccccc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21
InChIInChI=1S/C25H26N2O3S/c1-3-15-27-23-8-6-5-7-21(23)22-16-19(11-14-24(22)27)25(28)26-17-18-9-12-20(13-10-18)31(29,30)4-2/h5-14,16H,3-4,15,17H2,1-2H3,(H,26,28)
InChIKeyYSYYBOPKEOFULX-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.93
Rot. Bonds7

About N-[(4-ethylsulfonylphenyl)methyl]-9-propylcarbazole-3-carboxamide

N-[(4-ethylsulfonylphenyl)methyl]-9-propylcarbazole-3-carboxamide (PubChem CID 137400229) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[(4-ethylsulfonylphenyl)methyl]-9-propylcarbazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylsulfonylphenyl)methyl]-9-propylcarbazole-3-carboxamide
PubChem CID137400229
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC NameN-[(4-ethylsulfonylphenyl)methyl]-9-propylcarbazole-3-carboxamide
SMILESCCCn1c2ccccc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21
InChIInChI=1S/C25H26N2O3S/c1-3-15-27-23-8-6-5-7-21(23)22-16-19(11-14-24(22)27)25(28)26-17-18-9-12-20(13-10-18)31(29,30)4-2/h5-14,16H,3-4,15,17H2,1-2H3,(H,26,28)
InChIKeyYSYYBOPKEOFULX-UHFFFAOYSA-N
XLogP4.93
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 56593147
N-{4-[(3,5-Difluorophenyl)sulfonyl]benzyl}indolizine-7-Carboxamide
CID 76401548
9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
CID 137400227
2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfonylamino-phenyl)-butylamino]-ethyl}-1H-indole-5-carboxylic acid diethylamide
CID 18914272
2-(3,5-dimethylphenyl)-3-[2-[4-[4-(methanesulfonamido)phenyl]butylamino]ethyl]-N,N-di(propan-2-yl)-1H-indole-5-carboxamide
CID 44292977
1-(2,4-difluorobenzyl)-2,3-dimethyl-N-(1-phenylpropyl)-1H-indole-5-carboxamide
CID 71075321
2-(3,5-dimethylphenyl)-3-[2-[4-[4-(methanesulfonamido)phenyl]butylamino]ethyl]-N,N-bis(2-methylpropyl)-1H-indole-5-carboxamide
CID 10258643
N-tert-butyl-2-(3,5-dimethylphenyl)-N-ethyl-3-[2-[4-[4-(methanesulfonamido)phenyl]butylamino]ethyl]-1H-indole-5-carboxamide
CID 44292874
N-[4-(4-{2-[2-(3,5-Dimethyl-phenyl)-5-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]-ethylamino}-butyl)-phenyl]-methanesulfonamide
CID 44292988
N-[4-(4-{2-[2-(3,5-Dimethyl-phenyl)-5-(2,5-dimethyl-pyrrolidine-1-carbonyl)-1H-indol-3-yl]-ethylamino}-butyl)-phenyl]-methanesulfonamide
CID 44293075
N,N-diethyl-11-(2-fluoroethyl)-8-methyl-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 71580971
N-ethyl-4-[5-ethylsulfonyl-2-(1H-indol-7-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155558268

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylsulfonylphenyl)methyl]-9-propylcarbazole-3-carboxamide?
The IUPAC name of N-[(4-ethylsulfonylphenyl)methyl]-9-propylcarbazole-3-carboxamide (CID 137400229) is N-[(4-ethylsulfonylphenyl)methyl]-9-propylcarbazole-3-carboxamide.
What is the SMILES notation for N-[(4-ethylsulfonylphenyl)methyl]-9-propylcarbazole-3-carboxamide?
The canonical SMILES for N-[(4-ethylsulfonylphenyl)methyl]-9-propylcarbazole-3-carboxamide is CCCn1c2ccccc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21.
What is the InChIKey of N-[(4-ethylsulfonylphenyl)methyl]-9-propylcarbazole-3-carboxamide?
The InChIKey is YSYYBOPKEOFULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-3-15-27-23-8-6-5-7-21(23)22-16-19(11-14-24(22)27)25(28)26-17-18-9-12-20(13-10-18)31(29,30)4-2/h5-14,16H,3-4,15,17H2,1-2H3,(H,26,28).
What are the key properties of N-[(4-ethylsulfonylphenyl)methyl]-9-propylcarbazole-3-carboxamide?
N-[(4-ethylsulfonylphenyl)methyl]-9-propylcarbazole-3-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylsulfonylphenyl)methyl]-9-propylcarbazole-3-carboxamide is sourced from PubChem (CID 137400229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).