N-(3-cyclopropyl-2-oxopropyl)-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C27H36N2O5S — CID 58326277

IUPACN-(3-cyclopropyl-2-oxopropyl)-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCS(=O)(=O)n1c2c(c3cc(C(=O)N(C)CC(=O)CC4CC4)ccc31)CC(C1CCOCC1)CC2
InChIInChI=1S/C27H36N2O5S/c1-3-35(32,33)29-25-8-6-20(19-10-12-34-13-11-19)15-23(25)24-16-21(7-9-26(24)29)27(31)28(2)17-22(30)14-18-4-5-18/h7,9,16,18-20H,3-6,8,10-15,17H2,1-2H3
InChIKeyXHZSHVLQQAWDJZ-UHFFFAOYSA-N
MW500.66 g/mol
LogP3.81
Rot. Bonds8

About N-(3-cyclopropyl-2-oxopropyl)-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

N-(3-cyclopropyl-2-oxopropyl)-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 58326277) has the molecular formula C27H36N2O5S and a molecular weight of 500.66 g/mol. Its IUPAC name is N-(3-cyclopropyl-2-oxopropyl)-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-2-oxopropyl)-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID58326277
Molecular FormulaC27H36N2O5S
Molecular Weight500.66 g/mol
Exact Mass500.23
IUPAC NameN-(3-cyclopropyl-2-oxopropyl)-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCS(=O)(=O)n1c2c(c3cc(C(=O)N(C)CC(=O)CC4CC4)ccc31)CC(C1CCOCC1)CC2
InChIInChI=1S/C27H36N2O5S/c1-3-35(32,33)29-25-8-6-20(19-10-12-34-13-11-19)15-23(25)24-16-21(7-9-26(24)29)27(31)28(2)17-22(30)14-18-4-5-18/h7,9,16,18-20H,3-6,8,10-15,17H2,1-2H3
InChIKeyXHZSHVLQQAWDJZ-UHFFFAOYSA-N
XLogP3.81
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.66
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-2-oxopropyl)-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of N-(3-cyclopropyl-2-oxopropyl)-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 58326277) is N-(3-cyclopropyl-2-oxopropyl)-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-2-oxopropyl)-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-2-oxopropyl)-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is CCS(=O)(=O)n1c2c(c3cc(C(=O)N(C)CC(=O)CC4CC4)ccc31)CC(C1CCOCC1)CC2.
What is the InChIKey of N-(3-cyclopropyl-2-oxopropyl)-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is XHZSHVLQQAWDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O5S/c1-3-35(32,33)29-25-8-6-20(19-10-12-34-13-11-19)15-23(25)24-16-21(7-9-26(24)29)27(31)28(2)17-22(30)14-18-4-5-18/h7,9,16,18-20H,3-6,8,10-15,17H2,1-2H3.
What are the key properties of N-(3-cyclopropyl-2-oxopropyl)-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
N-(3-cyclopropyl-2-oxopropyl)-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 500.66 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-2-oxopropyl)-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 58326277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).