N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C15H22N6O3S2 — CID 4289124

IUPACN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nnnn2C)c1
InChIInChI=1S/C15H22N6O3S2/c1-5-21(6-2)26(23,24)12-8-7-11(3)13(9-12)16-14(22)10-25-15-17-18-19-20(15)4/h7-9H,5-6,10H2,1-4H3,(H,16,22)
InChIKeyALJHATSHEKUOPA-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.28
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 4289124) has the molecular formula C15H22N6O3S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID4289124
Molecular FormulaC15H22N6O3S2
Molecular Weight398.51 g/mol
Exact Mass398.12
IUPAC NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nnnn2C)c1
InChIInChI=1S/C15H22N6O3S2/c1-5-21(6-2)26(23,24)12-8-7-11(3)13(9-12)16-14(22)10-25-15-17-18-19-20(15)4/h7-9H,5-6,10H2,1-4H3,(H,16,22)
InChIKeyALJHATSHEKUOPA-UHFFFAOYSA-N
XLogP1.28
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.28
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-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2368202
N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3451317
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 3876709
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 3892108
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4348659
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4399897
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide
CID 4869880
2-((1,3,4-Thiadiazol-2-yl)thio)-N-(5-(N,N-dimethylsulfamoyl)-2-methylphenyl)acetamide
CID 9114980
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 16294091
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7785128

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 4289124) is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nnnn2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is ALJHATSHEKUOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S2/c1-5-21(6-2)26(23,24)12-8-7-11(3)13(9-12)16-14(22)10-25-15-17-18-19-20(15)4/h7-9H,5-6,10H2,1-4H3,(H,16,22).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 398.51 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 4289124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).