N-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide

C18H28N4O4S — CID 113105545

IUPACN-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CCN2CCN(C(=O)NCC3CCCO3)CC2)cc1
InChIInChI=1S/C18H28N4O4S/c19-27(24,25)17-5-3-15(4-6-17)7-8-21-9-11-22(12-10-21)18(23)20-14-16-2-1-13-26-16/h3-6,16H,1-2,7-14H2,(H,20,23)(H2,19,24,25)
InChIKeyNASWZPJWTHYNPW-UHFFFAOYSA-N
MW396.51 g/mol
LogP0.38
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide

N-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113105545) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
PubChem CID113105545
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC NameN-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CCN2CCN(C(=O)NCC3CCCO3)CC2)cc1
InChIInChI=1S/C18H28N4O4S/c19-27(24,25)17-5-3-15(4-6-17)7-8-21-9-11-22(12-10-21)18(23)20-14-16-2-1-13-26-16/h3-6,16H,1-2,7-14H2,(H,20,23)(H2,19,24,25)
InChIKeyNASWZPJWTHYNPW-UHFFFAOYSA-N
XLogP0.38
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
CID 113103670
4-[2-(cyclohexen-1-yl)ethyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113104669
N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
CID 113109842
2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 60769664
1-(oxolan-2-ylmethyl)-3-[(4-sulfamoylphenyl)methyl]thiourea
CID 2954154
3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 94097094
N-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185585
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001877
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001880
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 94017263
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113117302
4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105538

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide (CID 113105545) is N-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide is NS(=O)(=O)c1ccc(CCN2CCN(C(=O)NCC3CCCO3)CC2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is NASWZPJWTHYNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c19-27(24,25)17-5-3-15(4-6-17)7-8-21-9-11-22(12-10-21)18(23)20-14-16-2-1-13-26-16/h3-6,16H,1-2,7-14H2,(H,20,23)(H2,19,24,25).
What are the key properties of N-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide?
N-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113105545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).