1-(cyclohexylmethyl)-N-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C24H37N3O5S — CID 59718891

IUPAC1-(cyclohexylmethyl)-N-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NS(C)(=O)=O
InChIInChI=1S/C24H37N3O5S/c1-24(2,23(30)26-33(3,31)32)25-21(28)19-15-18-13-9-4-5-10-14-20(18)27(22(19)29)16-17-11-7-6-8-12-17/h15,17H,4-14,16H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyUGUWVLVUSYDHQN-UHFFFAOYSA-N
MW479.64 g/mol
LogP2.67
Rot. Bonds6

About 1-(cyclohexylmethyl)-N-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

1-(cyclohexylmethyl)-N-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 59718891) has the molecular formula C24H37N3O5S and a molecular weight of 479.64 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID59718891
Molecular FormulaC24H37N3O5S
Molecular Weight479.64 g/mol
Exact Mass479.25
IUPAC Name1-(cyclohexylmethyl)-N-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NS(C)(=O)=O
InChIInChI=1S/C24H37N3O5S/c1-24(2,23(30)26-33(3,31)32)25-21(28)19-15-18-13-9-4-5-10-14-20(18)27(22(19)29)16-17-11-7-6-8-12-17/h15,17H,4-14,16H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyUGUWVLVUSYDHQN-UHFFFAOYSA-N
XLogP2.67
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.64
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(cyclohexylmethyl)-N-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 59718891) is 1-(cyclohexylmethyl)-N-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NS(C)(=O)=O.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is UGUWVLVUSYDHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O5S/c1-24(2,23(30)26-33(3,31)32)25-21(28)19-15-18-13-9-4-5-10-14-20(18)27(22(19)29)16-17-11-7-6-8-12-17/h15,17H,4-14,16H2,1-3H3,(H,25,28)(H,26,30).
What are the key properties of 1-(cyclohexylmethyl)-N-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-(cyclohexylmethyl)-N-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 479.64 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 59718891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).