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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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).