methyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate

C17H20N2O4S2 — CID 71807064

IUPACmethyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3cccs3)CC2)cc1
InChIInChI=1S/C17H20N2O4S2/c1-23-17(20)18-14-4-6-15(7-5-14)25(21,22)19-10-8-13(9-11-19)16-3-2-12-24-16/h2-7,12-13H,8-11H2,1H3,(H,18,20)
InChIKeyBSEUXIUXGLOOEE-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.49
Rot. Bonds4

About methyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate

methyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate (PubChem CID 71807064) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is methyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate
PubChem CID71807064
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Namemethyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3cccs3)CC2)cc1
InChIInChI=1S/C17H20N2O4S2/c1-23-17(20)18-14-4-6-15(7-5-14)25(21,22)19-10-8-13(9-11-19)16-3-2-12-24-16/h2-7,12-13H,8-11H2,1H3,(H,18,20)
InChIKeyBSEUXIUXGLOOEE-UHFFFAOYSA-N
XLogP3.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 3497946
methyl 4-[(7-thiophen-2-yl-1,4-thiazepan-4-yl)sulfonyl]benzoate
CID 90633090
methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate
CID 121150776
(2S)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124834514
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9166137
methyl N-[4-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 122269015
methyl N-[4-[(3S)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]sulfonylphenyl]carbamate
CID 100719993
2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide
CID 131703860
1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine
CID 131703854
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224174
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate?
The IUPAC name of methyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate (CID 71807064) is methyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate.
What is the SMILES notation for methyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate?
The canonical SMILES for methyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3cccs3)CC2)cc1.
What is the InChIKey of methyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate?
The InChIKey is BSEUXIUXGLOOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-23-17(20)18-14-4-6-15(7-5-14)25(21,22)19-10-8-13(9-11-19)16-3-2-12-24-16/h2-7,12-13H,8-11H2,1H3,(H,18,20).
What are the key properties of methyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate?
methyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate has a molecular weight of 380.49 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate is sourced from PubChem (CID 71807064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).