N-[4-(dimethylsulfamoyl)phenyl]-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide

C22H28N8O4S — CID 29340654

IUPACN-[4-(dimethylsulfamoyl)phenyl]-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
SMILESCOc1ccc(-n2nnnc2CN2CCN(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1
InChIInChI=1S/C22H28N8O4S/c1-27(2)35(32,33)20-10-4-17(5-11-20)23-22(31)29-14-12-28(13-15-29)16-21-24-25-26-30(21)18-6-8-19(34-3)9-7-18/h4-11H,12-16H2,1-3H3,(H,23,31)
InChIKeyNHMSFWHMOPBUSR-UHFFFAOYSA-N
MW500.59 g/mol
LogP1.27
Rot. Bonds7

About N-[4-(dimethylsulfamoyl)phenyl]-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide

N-[4-(dimethylsulfamoyl)phenyl]-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide (PubChem CID 29340654) has the molecular formula C22H28N8O4S and a molecular weight of 500.59 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
PubChem CID29340654
Molecular FormulaC22H28N8O4S
Molecular Weight500.59 g/mol
Exact Mass500.20
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
SMILESCOc1ccc(-n2nnnc2CN2CCN(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1
InChIInChI=1S/C22H28N8O4S/c1-27(2)35(32,33)20-10-4-17(5-11-20)23-22(31)29-14-12-28(13-15-29)16-21-24-25-26-30(21)18-6-8-19(34-3)9-7-18/h4-11H,12-16H2,1-3H3,(H,23,31)
InChIKeyNHMSFWHMOPBUSR-UHFFFAOYSA-N
XLogP1.27
TPSA125.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.59
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'tetrazole_A(1)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
CID 30858692
4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 29340627
N-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3340473
4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 29340252
ethyl 3-[[4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]amino]propanoate
CID 29340628
N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 30858611
(4-methoxyphenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937802
1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine
CID 30858578
4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 29340329
(4-fluorophenyl)-[4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30938400
3-chloro-1-[4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 30938356
(4-bromophenyl)-[4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30938413

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide (CID 29340654) is N-[4-(dimethylsulfamoyl)phenyl]-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide is COc1ccc(-n2nnnc2CN2CCN(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide?
The InChIKey is NHMSFWHMOPBUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O4S/c1-27(2)35(32,33)20-10-4-17(5-11-20)23-22(31)29-14-12-28(13-15-29)16-21-24-25-26-30(21)18-6-8-19(34-3)9-7-18/h4-11H,12-16H2,1-3H3,(H,23,31).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide?
N-[4-(dimethylsulfamoyl)phenyl]-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide has a molecular weight of 500.59 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 29340654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).