N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C18H24ClN5O3S2 — CID 5167083

IUPACN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)c1nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n[nH]1
InChIInChI=1S/C18H24ClN5O3S2/c1-12(2)17-21-18(23-22-17)28-11-16(25)20-15-10-13(6-7-14(15)19)29(26,27)24-8-4-3-5-9-24/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,20,25)(H,21,22,23)
InChIKeyOGVXOBOEMQPPMM-UHFFFAOYSA-N
MW458.01 g/mol
LogP3.49
Rot. Bonds7

About N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 5167083) has the molecular formula C18H24ClN5O3S2 and a molecular weight of 458.01 g/mol. Its IUPAC name is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID5167083
Molecular FormulaC18H24ClN5O3S2
Molecular Weight458.01 g/mol
Exact Mass457.10
IUPAC NameN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)c1nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n[nH]1
InChIInChI=1S/C18H24ClN5O3S2/c1-12(2)17-21-18(23-22-17)28-11-16(25)20-15-10-13(6-7-14(15)19)29(26,27)24-8-4-3-5-9-24/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,20,25)(H,21,22,23)
InChIKeyOGVXOBOEMQPPMM-UHFFFAOYSA-N
XLogP3.49
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.01
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide 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

(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 41272511
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16603344
1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 24527179
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-phenylsulfanylacetamide
CID 3984580
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 3471694
N-(3-chloro-2-methylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 29317070
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 16543235
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 43034765
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4086709
(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 40939172
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4838513
2-(azepan-1-yl)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818242

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 5167083) is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(C)c1nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n[nH]1.
What is the InChIKey of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is OGVXOBOEMQPPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O3S2/c1-12(2)17-21-18(23-22-17)28-11-16(25)20-15-10-13(6-7-14(15)19)29(26,27)24-8-4-3-5-9-24/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,20,25)(H,21,22,23).
What are the key properties of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 458.01 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 5167083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).