N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide

C17H24N8O4S — CID 55698120

IUPACN-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
SMILESCc1nnnn1-c1cccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C17H24N8O4S/c1-14-19-20-21-25(14)16-4-2-3-15(13-16)18-17(26)22-5-7-23(8-6-22)30(27,28)24-9-11-29-12-10-24/h2-4,13H,5-12H2,1H3,(H,18,26)
InChIKeyAFOZMRCEMCHROH-UHFFFAOYSA-N
MW436.50 g/mol
LogP-0.30
Rot. Bonds4

About N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide

N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide (PubChem CID 55698120) has the molecular formula C17H24N8O4S and a molecular weight of 436.50 g/mol. Its IUPAC name is N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
PubChem CID55698120
Molecular FormulaC17H24N8O4S
Molecular Weight436.50 g/mol
Exact Mass436.16
IUPAC NameN-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
SMILESCc1nnnn1-c1cccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C17H24N8O4S/c1-14-19-20-21-25(14)16-4-2-3-15(13-16)18-17(26)22-5-7-23(8-6-22)30(27,28)24-9-11-29-12-10-24/h2-4,13H,5-12H2,1H3,(H,18,26)
InChIKeyAFOZMRCEMCHROH-UHFFFAOYSA-N
XLogP-0.30
TPSA125.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55697524
ethyl 1-[3-[(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)amino]phenyl]pyrazole-3-carboxylate
CID 55742652
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 55663261
4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 55697965
[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone
CID 56763218
N-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 131945875
4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 118761754
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 55697525
4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide
CID 55698247
N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55742297
4-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 47050894
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide (CID 55698120) is N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide is Cc1nnnn1-c1cccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The InChIKey is AFOZMRCEMCHROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O4S/c1-14-19-20-21-25(14)16-4-2-3-15(13-16)18-17(26)22-5-7-23(8-6-22)30(27,28)24-9-11-29-12-10-24/h2-4,13H,5-12H2,1H3,(H,18,26).
What are the key properties of N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide has a molecular weight of 436.50 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 55698120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).