2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C14H18N6O3S2 — CID 4841258

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCn1nnnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C14H18N6O3S2/c1-19-14(16-17-18-19)24-10-13(21)15-11-5-4-6-12(9-11)25(22,23)20-7-2-3-8-20/h4-6,9H,2-3,7-8,10H2,1H3,(H,15,21)
InChIKeySAULGNSCZMOFHZ-UHFFFAOYSA-N
MW382.47 g/mol
LogP0.73
Rot. Bonds6

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4841258) has the molecular formula C14H18N6O3S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID4841258
Molecular FormulaC14H18N6O3S2
Molecular Weight382.47 g/mol
Exact Mass382.09
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCn1nnnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C14H18N6O3S2/c1-19-14(16-17-18-19)24-10-13(21)15-11-5-4-6-12(9-11)25(22,23)20-7-2-3-8-20/h4-6,9H,2-3,7-8,10H2,1H3,(H,15,21)
InChIKeySAULGNSCZMOFHZ-UHFFFAOYSA-N
XLogP0.73
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3919132
N-[4-(4-Methyl-piperidine-1-sulfonyl)-phenyl]-2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 654320
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2467951
N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3451317
N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 4107072
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4145244
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4348659
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4878909
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)phenyl]acetamide
CID 4965092
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 4965392
2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4969672
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 5165692

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 4841258) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is Cn1nnnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is SAULGNSCZMOFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3S2/c1-19-14(16-17-18-19)24-10-13(21)15-11-5-4-6-12(9-11)25(22,23)20-7-2-3-8-20/h4-6,9H,2-3,7-8,10H2,1H3,(H,15,21).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 382.47 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4841258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).