N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C20H27N5O3S2 — CID 24591801

IUPACN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C20H27N5O3S2/c1-25(16-5-3-2-4-6-16)30(27,28)17-11-9-15(10-12-17)21-18(26)13-29-20-22-19(23-24-20)14-7-8-14/h9-12,14,16H,2-8,13H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyAXOWNQWWLZMTJQ-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.37
Rot. Bonds8

About N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 24591801) has the molecular formula C20H27N5O3S2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID24591801
Molecular FormulaC20H27N5O3S2
Molecular Weight449.60 g/mol
Exact Mass449.16
IUPAC NameN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C20H27N5O3S2/c1-25(16-5-3-2-4-6-16)30(27,28)17-11-9-15(10-12-17)21-18(26)13-29-20-22-19(23-24-20)14-7-8-14/h9-12,14,16H,2-8,13H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyAXOWNQWWLZMTJQ-UHFFFAOYSA-N
XLogP3.37
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 16604411
4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1266303
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 16587143
2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 16587729
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
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CID 55874325
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CID 18141239
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16587895
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 26071570
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 2223888
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 24591801) is N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(C3CC3)n2)cc1.
What is the InChIKey of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is AXOWNQWWLZMTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S2/c1-25(16-5-3-2-4-6-16)30(27,28)17-11-9-15(10-12-17)21-18(26)13-29-20-22-19(23-24-20)14-7-8-14/h9-12,14,16H,2-8,13H2,1H3,(H,21,26)(H,22,23,24).
What are the key properties of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 449.60 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 24591801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).