3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide

C16H22N6O3S2 — CID 55972416

IUPAC3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
SMILESCn1nnnc1SCCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H22N6O3S2/c1-21-16(18-19-20-21)26-11-8-15(23)17-12-13-4-6-14(7-5-13)27(24,25)22-9-2-3-10-22/h4-7H,2-3,8-12H2,1H3,(H,17,23)
InChIKeyIUOFPSUDFOXTIQ-UHFFFAOYSA-N
MW410.53 g/mol
LogP0.79
Rot. Bonds8

About 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide

3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide (PubChem CID 55972416) has the molecular formula C16H22N6O3S2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
PubChem CID55972416
Molecular FormulaC16H22N6O3S2
Molecular Weight410.53 g/mol
Exact Mass410.12
IUPAC Name3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
SMILESCn1nnnc1SCCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H22N6O3S2/c1-21-16(18-19-20-21)26-11-8-15(23)17-12-13-4-6-14(7-5-13)27(24,25)22-9-2-3-10-22/h4-7H,2-3,8-12H2,1H3,(H,17,23)
InChIKeyIUOFPSUDFOXTIQ-UHFFFAOYSA-N
XLogP0.79
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide 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

2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1140739
2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 8005917
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4838513
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4086709
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134012322
5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 55963055
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide
CID 46483108
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 97012048
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
7-amino-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]heptanamide;hydrochloride
CID 119690920
2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759228

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide?
The IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide (CID 55972416) is 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide is Cn1nnnc1SCCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide?
The InChIKey is IUOFPSUDFOXTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3S2/c1-21-16(18-19-20-21)26-11-8-15(23)17-12-13-4-6-14(7-5-13)27(24,25)22-9-2-3-10-22/h4-7H,2-3,8-12H2,1H3,(H,17,23).
What are the key properties of 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide?
3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide has a molecular weight of 410.53 g/mol, XLogP of 0.79, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide is sourced from PubChem (CID 55972416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).