9-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]carbazole-3-carboxamide

C23H23N3O3S — CID 137399857

IUPAC9-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]carbazole-3-carboxamide
SMILESCCn1c2ccccc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cn3)ccc21
InChIInChI=1S/C23H23N3O3S/c1-3-26-21-8-6-5-7-19(21)20-13-16(9-12-22(20)26)23(27)25-14-17-10-11-18(15-24-17)30(28,29)4-2/h5-13,15H,3-4,14H2,1-2H3,(H,25,27)
InChIKeyQKCBDZKVSCQSLD-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.93
Rot. Bonds6

About 9-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]carbazole-3-carboxamide

9-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]carbazole-3-carboxamide (PubChem CID 137399857) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 9-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]carbazole-3-carboxamide.

Molecular Properties

Compound Name9-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]carbazole-3-carboxamide
PubChem CID137399857
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name9-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]carbazole-3-carboxamide
SMILESCCn1c2ccccc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cn3)ccc21
InChIInChI=1S/C23H23N3O3S/c1-3-26-21-8-6-5-7-19(21)20-13-16(9-12-22(20)26)23(27)25-14-17-10-11-18(15-24-17)30(28,29)4-2/h5-13,15H,3-4,14H2,1-2H3,(H,25,27)
InChIKeyQKCBDZKVSCQSLD-UHFFFAOYSA-N
XLogP3.93
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(E)-N-isopropyl-3-(3-(6-isopropylquinolin-8-yl)phenyl)-2-(4-(methylsulfonyl)phenyl)acrylamide
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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]carbazole-3-carboxamide?
The IUPAC name of 9-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]carbazole-3-carboxamide (CID 137399857) is 9-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]carbazole-3-carboxamide.
What is the SMILES notation for 9-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]carbazole-3-carboxamide?
The canonical SMILES for 9-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]carbazole-3-carboxamide is CCn1c2ccccc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cn3)ccc21.
What is the InChIKey of 9-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]carbazole-3-carboxamide?
The InChIKey is QKCBDZKVSCQSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-3-26-21-8-6-5-7-19(21)20-13-16(9-12-22(20)26)23(27)25-14-17-10-11-18(15-24-17)30(28,29)4-2/h5-13,15H,3-4,14H2,1-2H3,(H,25,27).
What are the key properties of 9-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]carbazole-3-carboxamide?
9-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]carbazole-3-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]carbazole-3-carboxamide is sourced from PubChem (CID 137399857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).