N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide

C18H28N4O4S — CID 100665698

IUPACN-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide
SMILESCNS(=O)(=O)NC1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1
InChIInChI=1S/C18H28N4O4S/c1-19-27(24,25)21-15-10-12-22(13-11-15)18(23)20-14-6-8-17(9-7-14)26-16-4-2-3-5-16/h6-9,15-16,19,21H,2-5,10-13H2,1H3,(H,20,23)
InChIKeyAQTDGUBBPUGVCH-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.06
Rot. Bonds6

About N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide

N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide (PubChem CID 100665698) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide
PubChem CID100665698
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC NameN-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide
SMILESCNS(=O)(=O)NC1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1
InChIInChI=1S/C18H28N4O4S/c1-19-27(24,25)21-15-10-12-22(13-11-15)18(23)20-14-6-8-17(9-7-14)26-16-4-2-3-5-16/h6-9,15-16,19,21H,2-5,10-13H2,1H3,(H,20,23)
InChIKeyAQTDGUBBPUGVCH-UHFFFAOYSA-N
XLogP2.06
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide
CID 20630138
4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide
CID 20629788
1-[(4-cyclopentyloxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122075770
N-(4-cyclopentyloxyphenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 36566720
1-(4-cyclopentyloxyphenyl)-3-[4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]urea
CID 67147888
4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 46380415
N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoyl)benzamide
CID 38455287
N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
CID 20630756
(2S,3R)-N-(4-cyclopentyloxyphenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 99828953
N-(4-cyclopentyloxyphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48640265
N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 47032203
(5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide
CID 97333817

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide?
The IUPAC name of N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide (CID 100665698) is N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide is CNS(=O)(=O)NC1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1.
What is the InChIKey of N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide?
The InChIKey is AQTDGUBBPUGVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-19-27(24,25)21-15-10-12-22(13-11-15)18(23)20-14-6-8-17(9-7-14)26-16-4-2-3-5-16/h6-9,15-16,19,21H,2-5,10-13H2,1H3,(H,20,23).
What are the key properties of N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide?
N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 100665698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).