4-(diethylsulfamoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide

C17H26N8O3S — CID 55698877

IUPAC4-(diethylsulfamoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3nnnn3C)c2)CC1
InChIInChI=1S/C17H26N8O3S/c1-4-24(5-2)29(27,28)25-11-9-23(10-12-25)17(26)18-15-8-6-7-14(13-15)16-19-20-21-22(16)3/h6-8,13H,4-5,9-12H2,1-3H3,(H,18,26)
InChIKeyLIGYAMVHVUGOCF-UHFFFAOYSA-N
MW422.52 g/mol
LogP0.61
Rot. Bonds6

About 4-(diethylsulfamoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide

4-(diethylsulfamoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide (PubChem CID 55698877) has the molecular formula C17H26N8O3S and a molecular weight of 422.52 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide
PubChem CID55698877
Molecular FormulaC17H26N8O3S
Molecular Weight422.52 g/mol
Exact Mass422.18
IUPAC Name4-(diethylsulfamoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3nnnn3C)c2)CC1
InChIInChI=1S/C17H26N8O3S/c1-4-24(5-2)29(27,28)25-11-9-23(10-12-25)17(26)18-15-8-6-7-14(13-15)16-19-20-21-22(16)3/h6-8,13H,4-5,9-12H2,1-3H3,(H,18,26)
InChIKeyLIGYAMVHVUGOCF-UHFFFAOYSA-N
XLogP0.61
TPSA116.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide
CID 55699190
N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 55601078
1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide
CID 47033241
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
(2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
CID 103831156
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
CID 60853677
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
1-hydroxy-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 110907120
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide
CID 83092605
2-(4-chlorophenyl)sulfonyl-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 41360617

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide (CID 55698877) is 4-(diethylsulfamoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide is CCN(CC)S(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3nnnn3C)c2)CC1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is LIGYAMVHVUGOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8O3S/c1-4-24(5-2)29(27,28)25-11-9-23(10-12-25)17(26)18-15-8-6-7-14(13-15)16-19-20-21-22(16)3/h6-8,13H,4-5,9-12H2,1-3H3,(H,18,26).
What are the key properties of 4-(diethylsulfamoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide?
4-(diethylsulfamoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 422.52 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 55698877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).