N-[(9-ethylcarbazol-3-yl)methyl]-2-[(S)-ethylsulfinyl]-N-methylbenzamide

C25H26N2O2S — CID 25393996

IUPACN-[(9-ethylcarbazol-3-yl)methyl]-2-[(S)-ethylsulfinyl]-N-methylbenzamide
SMILESCCn1c2ccccc2c2cc(CN(C)C(=O)c3ccccc3[S@@](=O)CC)ccc21
InChIInChI=1S/C25H26N2O2S/c1-4-27-22-12-8-6-10-19(22)21-16-18(14-15-23(21)27)17-26(3)25(28)20-11-7-9-13-24(20)30(29)5-2/h6-16H,4-5,17H2,1-3H3/t30-/m0/s1
InChIKeyJFTXSOXNLMMWAW-PMERELPUSA-N
MW418.56 g/mol
LogP5.21
Rot. Bonds6

About N-[(9-ethylcarbazol-3-yl)methyl]-2-[(S)-ethylsulfinyl]-N-methylbenzamide

N-[(9-ethylcarbazol-3-yl)methyl]-2-[(S)-ethylsulfinyl]-N-methylbenzamide (PubChem CID 25393996) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methyl]-2-[(S)-ethylsulfinyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methyl]-2-[(S)-ethylsulfinyl]-N-methylbenzamide
PubChem CID25393996
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC NameN-[(9-ethylcarbazol-3-yl)methyl]-2-[(S)-ethylsulfinyl]-N-methylbenzamide
SMILESCCn1c2ccccc2c2cc(CN(C)C(=O)c3ccccc3[S@@](=O)CC)ccc21
InChIInChI=1S/C25H26N2O2S/c1-4-27-22-12-8-6-10-19(22)21-16-18(14-15-23(21)27)17-26(3)25(28)20-11-7-9-13-24(20)30(29)5-2/h6-16H,4-5,17H2,1-3H3/t30-/m0/s1
InChIKeyJFTXSOXNLMMWAW-PMERELPUSA-N
XLogP5.21
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol
CID 166376331
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CID 160567842
N-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17461704
9-ethyl-N,N-dimethylcarbazole-3-carboxamide
CID 163964567
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide
CID 70174564
2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 11110676
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
3-(2,6-dimethylphenyl)-1-[(9-ethylcarbazol-3-yl)methyl]-1-(2-methylpropyl)urea
CID 42696405
2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 66527507
(9-ethylcarbazol-3-yl)methyl N-benzylcarbamate
CID 143174353

Frequently Asked Questions

What is the IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-2-[(S)-ethylsulfinyl]-N-methylbenzamide?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-2-[(S)-ethylsulfinyl]-N-methylbenzamide (CID 25393996) is N-[(9-ethylcarbazol-3-yl)methyl]-2-[(S)-ethylsulfinyl]-N-methylbenzamide.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methyl]-2-[(S)-ethylsulfinyl]-N-methylbenzamide?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methyl]-2-[(S)-ethylsulfinyl]-N-methylbenzamide is CCn1c2ccccc2c2cc(CN(C)C(=O)c3ccccc3[S@@](=O)CC)ccc21.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methyl]-2-[(S)-ethylsulfinyl]-N-methylbenzamide?
The InChIKey is JFTXSOXNLMMWAW-PMERELPUSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-4-27-22-12-8-6-10-19(22)21-16-18(14-15-23(21)27)17-26(3)25(28)20-11-7-9-13-24(20)30(29)5-2/h6-16H,4-5,17H2,1-3H3/t30-/m0/s1.
What are the key properties of N-[(9-ethylcarbazol-3-yl)methyl]-2-[(S)-ethylsulfinyl]-N-methylbenzamide?
N-[(9-ethylcarbazol-3-yl)methyl]-2-[(S)-ethylsulfinyl]-N-methylbenzamide has a molecular weight of 418.56 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-ethylcarbazol-3-yl)methyl]-2-[(S)-ethylsulfinyl]-N-methylbenzamide is sourced from PubChem (CID 25393996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).