N-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide

C13H20N4O4S — CID 136571741

IUPACN-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
SMILESCCOc1cccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)c1
InChIInChI=1S/C13H20N4O4S/c1-2-21-12-5-3-4-11(10-12)15-13(18)16-6-8-17(9-7-16)22(14,19)20/h3-5,10H,2,6-9H2,1H3,(H,15,18)(H2,14,19,20)
InChIKeyISTMDLQNUSSFAX-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.44
Rot. Bonds4

About N-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide

N-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide (PubChem CID 136571741) has the molecular formula C13H20N4O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
PubChem CID136571741
Molecular FormulaC13H20N4O4S
Molecular Weight328.39 g/mol
Exact Mass328.12
IUPAC NameN-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
SMILESCCOc1cccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)c1
InChIInChI=1S/C13H20N4O4S/c1-2-21-12-5-3-4-11(10-12)15-13(18)16-6-8-17(9-7-16)22(14,19)20/h3-5,10H,2,6-9H2,1H3,(H,15,18)(H2,14,19,20)
InChIKeyISTMDLQNUSSFAX-UHFFFAOYSA-N
XLogP0.44
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61321561
N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61131305
4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(3-ethoxyphenyl)piperazine-1-carboxamide
CID 95630489
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113737
N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide
CID 51102257
N-[3-(difluoromethoxy)phenyl]-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869916
4-(6-ethoxy-2-pyridinyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 136524178
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylpiperidine-1-carboxamide
CID 79158405
2-[3-(morpholine-4-carbonylamino)phenoxy]acetic acid
CID 61187144
N-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide?
The IUPAC name of N-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide (CID 136571741) is N-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide is CCOc1cccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide?
The InChIKey is ISTMDLQNUSSFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4S/c1-2-21-12-5-3-4-11(10-12)15-13(18)16-6-8-17(9-7-16)22(14,19)20/h3-5,10H,2,6-9H2,1H3,(H,15,18)(H2,14,19,20).
What are the key properties of N-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide?
N-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide is sourced from PubChem (CID 136571741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).