N-(2-fluoro-2-methylcyclohexyl)-2,2-dimethyl-3-(4-sulfamoylcyclohexa-1,3-dien-1-yl)cyclopropane-1-carboxamide

C19H29FN2O3S — CID 123594133

IUPACN-(2-fluoro-2-methylcyclohexyl)-2,2-dimethyl-3-(4-sulfamoylcyclohexa-1,3-dien-1-yl)cyclopropane-1-carboxamide
SMILESCC1(F)CCCCC1NC(=O)C1C(C2=CC=C(S(N)(=O)=O)CC2)C1(C)C
InChIInChI=1S/C19H29FN2O3S/c1-18(2)15(12-7-9-13(10-8-12)26(21,24)25)16(18)17(23)22-14-6-4-5-11-19(14,3)20/h7,9,14-16H,4-6,8,10-11H2,1-3H3,(H,22,23)(H2,21,24,25)
InChIKeyQKSYOGAAAHVZLW-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.94
Rot. Bonds4

About N-(2-fluoro-2-methylcyclohexyl)-2,2-dimethyl-3-(4-sulfamoylcyclohexa-1,3-dien-1-yl)cyclopropane-1-carboxamide

N-(2-fluoro-2-methylcyclohexyl)-2,2-dimethyl-3-(4-sulfamoylcyclohexa-1,3-dien-1-yl)cyclopropane-1-carboxamide (PubChem CID 123594133) has the molecular formula C19H29FN2O3S and a molecular weight of 384.52 g/mol. Its IUPAC name is N-(2-fluoro-2-methylcyclohexyl)-2,2-dimethyl-3-(4-sulfamoylcyclohexa-1,3-dien-1-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-2-methylcyclohexyl)-2,2-dimethyl-3-(4-sulfamoylcyclohexa-1,3-dien-1-yl)cyclopropane-1-carboxamide
PubChem CID123594133
Molecular FormulaC19H29FN2O3S
Molecular Weight384.52 g/mol
Exact Mass384.19
IUPAC NameN-(2-fluoro-2-methylcyclohexyl)-2,2-dimethyl-3-(4-sulfamoylcyclohexa-1,3-dien-1-yl)cyclopropane-1-carboxamide
SMILESCC1(F)CCCCC1NC(=O)C1C(C2=CC=C(S(N)(=O)=O)CC2)C1(C)C
InChIInChI=1S/C19H29FN2O3S/c1-18(2)15(12-7-9-13(10-8-12)26(21,24)25)16(18)17(23)22-14-6-4-5-11-19(14,3)20/h7,9,14-16H,4-6,8,10-11H2,1-3H3,(H,22,23)(H2,21,24,25)
InChIKeyQKSYOGAAAHVZLW-UHFFFAOYSA-N
XLogP2.94
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylcyclohexyl)-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide
CID 141028050

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-2-methylcyclohexyl)-2,2-dimethyl-3-(4-sulfamoylcyclohexa-1,3-dien-1-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-fluoro-2-methylcyclohexyl)-2,2-dimethyl-3-(4-sulfamoylcyclohexa-1,3-dien-1-yl)cyclopropane-1-carboxamide (CID 123594133) is N-(2-fluoro-2-methylcyclohexyl)-2,2-dimethyl-3-(4-sulfamoylcyclohexa-1,3-dien-1-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-fluoro-2-methylcyclohexyl)-2,2-dimethyl-3-(4-sulfamoylcyclohexa-1,3-dien-1-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-fluoro-2-methylcyclohexyl)-2,2-dimethyl-3-(4-sulfamoylcyclohexa-1,3-dien-1-yl)cyclopropane-1-carboxamide is CC1(F)CCCCC1NC(=O)C1C(C2=CC=C(S(N)(=O)=O)CC2)C1(C)C.
What is the InChIKey of N-(2-fluoro-2-methylcyclohexyl)-2,2-dimethyl-3-(4-sulfamoylcyclohexa-1,3-dien-1-yl)cyclopropane-1-carboxamide?
The InChIKey is QKSYOGAAAHVZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O3S/c1-18(2)15(12-7-9-13(10-8-12)26(21,24)25)16(18)17(23)22-14-6-4-5-11-19(14,3)20/h7,9,14-16H,4-6,8,10-11H2,1-3H3,(H,22,23)(H2,21,24,25).
What are the key properties of N-(2-fluoro-2-methylcyclohexyl)-2,2-dimethyl-3-(4-sulfamoylcyclohexa-1,3-dien-1-yl)cyclopropane-1-carboxamide?
N-(2-fluoro-2-methylcyclohexyl)-2,2-dimethyl-3-(4-sulfamoylcyclohexa-1,3-dien-1-yl)cyclopropane-1-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2-methylcyclohexyl)-2,2-dimethyl-3-(4-sulfamoylcyclohexa-1,3-dien-1-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 123594133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).