N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide

C20H30N2O4S — CID 119047580

IUPACN-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)CCC1
InChIInChI=1S/C20H30N2O4S/c1-22(17-9-4-3-5-10-17)27(24,25)18-11-6-8-16(14-18)21-19(23)15-20(26-2)12-7-13-20/h6,8,11,14,17H,3-5,7,9-10,12-13,15H2,1-2H3,(H,21,23)
InChIKeyMQMSDUDPBIHNND-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.54
Rot. Bonds7

About N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide

N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide (PubChem CID 119047580) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide
PubChem CID119047580
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)CCC1
InChIInChI=1S/C20H30N2O4S/c1-22(17-9-4-3-5-10-17)27(24,25)18-11-6-8-16(14-18)21-19(23)15-20(26-2)12-7-13-20/h6,8,11,14,17H,3-5,7,9-10,12-13,15H2,1-2H3,(H,21,23)
InChIKeyMQMSDUDPBIHNND-UHFFFAOYSA-N
XLogP3.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide
CID 119048273
2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 103520061
2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8705717
3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119793490
2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8763703
N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 119329159
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119672943
4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 24819422
3-[cyclohexyl(methyl)sulfamoyl]-N-ethoxybenzamide
CID 43048017
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126
N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide
CID 78786922

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide (CID 119047580) is N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)CCC1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is MQMSDUDPBIHNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-22(17-9-4-3-5-10-17)27(24,25)18-11-6-8-16(14-18)21-19(23)15-20(26-2)12-7-13-20/h6,8,11,14,17H,3-5,7,9-10,12-13,15H2,1-2H3,(H,21,23).
What are the key properties of N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide?
N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 394.54 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 119047580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).