methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate

C18H22N2O4S2 — CID 71806721

IUPACmethyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCC2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-24-17(21)20-14-6-8-15(9-7-14)26(22,23)19-13-18(10-2-3-11-18)16-5-4-12-25-16/h4-9,12,19H,2-3,10-11,13H2,1H3,(H,20,21)
InChIKeyZHEOBZYURMMQSQ-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.72
Rot. Bonds6

About methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate

methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate (PubChem CID 71806721) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate
PubChem CID71806721
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Namemethyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCC2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-24-17(21)20-14-6-8-15(9-7-14)26(22,23)19-13-18(10-2-3-11-18)16-5-4-12-25-16/h4-9,12,19H,2-3,10-11,13H2,1H3,(H,20,21)
InChIKeyZHEOBZYURMMQSQ-UHFFFAOYSA-N
XLogP3.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(1-thiophen-2-ylcyclohexyl)methylsulfamoyl]phenyl]acetamide
CID 30943323
2,3,4,5,6-pentamethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943352
4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 30530651
methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate
CID 30522713
2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943321
methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate
CID 72717990
2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943344
4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944280
4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943293
N-[4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]phenyl]acetamide
CID 110642376
N-[(1-thiophen-2-ylcyclohexyl)methyl]naphthalene-1-sulfonamide
CID 30943313
4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944380

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate (CID 71806721) is methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCC2)cc1.
What is the InChIKey of methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate?
The InChIKey is ZHEOBZYURMMQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-24-17(21)20-14-6-8-15(9-7-14)26(22,23)19-13-18(10-2-3-11-18)16-5-4-12-25-16/h4-9,12,19H,2-3,10-11,13H2,1H3,(H,20,21).
What are the key properties of methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate?
methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate has a molecular weight of 394.52 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate is sourced from PubChem (CID 71806721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).