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

C26H26N2O3S — CID 137399020

IUPAC9-(cyclopropylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)c2ccccc2n3CC2CC2)cc1
InChIInChI=1S/C26H26N2O3S/c1-2-32(30,31)21-12-9-18(10-13-21)16-27-26(29)20-11-14-25-23(15-20)22-5-3-4-6-24(22)28(25)17-19-7-8-19/h3-6,9-15,19H,2,7-8,16-17H2,1H3,(H,27,29)
InChIKeyXNWNFFDDUUYNEF-UHFFFAOYSA-N
MW446.57 g/mol
LogP4.93
Rot. Bonds7

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

9-(cyclopropylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide (PubChem CID 137399020) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
PubChem CID137399020
Molecular FormulaC26H26N2O3S
Molecular Weight446.57 g/mol
Exact Mass446.17
IUPAC Name9-(cyclopropylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)c2ccccc2n3CC2CC2)cc1
InChIInChI=1S/C26H26N2O3S/c1-2-32(30,31)21-12-9-18(10-13-21)16-27-26(29)20-11-14-25-23(15-20)22-5-3-4-6-24(22)28(25)17-19-7-8-19/h3-6,9-15,19H,2,7-8,16-17H2,1H3,(H,27,29)
InChIKeyXNWNFFDDUUYNEF-UHFFFAOYSA-N
XLogP4.93
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide?
The IUPAC name of 9-(cyclopropylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide (CID 137399020) is 9-(cyclopropylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide.
What is the SMILES notation for 9-(cyclopropylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide?
The canonical SMILES for 9-(cyclopropylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide is CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)c2ccccc2n3CC2CC2)cc1.
What is the InChIKey of 9-(cyclopropylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide?
The InChIKey is XNWNFFDDUUYNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3S/c1-2-32(30,31)21-12-9-18(10-13-21)16-27-26(29)20-11-14-25-23(15-20)22-5-3-4-6-24(22)28(25)17-19-7-8-19/h3-6,9-15,19H,2,7-8,16-17H2,1H3,(H,27,29).
What are the key properties of 9-(cyclopropylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide?
9-(cyclopropylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide has a molecular weight of 446.57 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 9-(cyclopropylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide is sourced from PubChem (CID 137399020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).