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

C17H24N8O4S2 — CID 55697524

IUPACN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
SMILESCSc1nnnn1-c1cccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C17H24N8O4S2/c1-30-17-19-20-21-25(17)15-4-2-3-14(13-15)18-16(26)22-5-7-23(8-6-22)31(27,28)24-9-11-29-12-10-24/h2-4,13H,5-12H2,1H3,(H,18,26)
InChIKeyIMHLEGHXVAATPB-UHFFFAOYSA-N
MW468.57 g/mol
LogP0.11
Rot. Bonds5

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

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide (PubChem CID 55697524) has the molecular formula C17H24N8O4S2 and a molecular weight of 468.57 g/mol. Its IUPAC name is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
PubChem CID55697524
Molecular FormulaC17H24N8O4S2
Molecular Weight468.57 g/mol
Exact Mass468.14
IUPAC NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
SMILESCSc1nnnn1-c1cccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C17H24N8O4S2/c1-30-17-19-20-21-25(17)15-4-2-3-14(13-15)18-16(26)22-5-7-23(8-6-22)31(27,28)24-9-11-29-12-10-24/h2-4,13H,5-12H2,1H3,(H,18,26)
InChIKeyIMHLEGHXVAATPB-UHFFFAOYSA-N
XLogP0.11
TPSA125.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55698120
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 55697525
4-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 47050894
4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 47033942
ethyl 1-[3-[(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)amino]phenyl]pyrazole-3-carboxylate
CID 55742652
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55608919
N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55698487
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide
CID 55698247
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-phenylcyclobutane-1-carboxamide
CID 134034450

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide (CID 55697524) is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide is CSc1nnnn1-c1cccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The InChIKey is IMHLEGHXVAATPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O4S2/c1-30-17-19-20-21-25(17)15-4-2-3-14(13-15)18-16(26)22-5-7-23(8-6-22)31(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-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide has a molecular weight of 468.57 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 55697524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).