5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide

C20H27ClN2O3S2 — CID 127037680

IUPAC5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C20H27ClN2O3S2/c1-15(2)17-5-3-4-6-18(17)26-14-13-23-11-9-16(10-12-23)22-28(24,25)20-8-7-19(21)27-20/h3-8,15-16,22H,9-14H2,1-2H3
InChIKeyOTHKGLPCISDPKW-UHFFFAOYSA-N
MW443.03 g/mol
LogP4.35
Rot. Bonds8

About 5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide

5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 127037680) has the molecular formula C20H27ClN2O3S2 and a molecular weight of 443.03 g/mol. Its IUPAC name is 5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID127037680
Molecular FormulaC20H27ClN2O3S2
Molecular Weight443.03 g/mol
Exact Mass442.12
IUPAC Name5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C20H27ClN2O3S2/c1-15(2)17-5-3-4-6-18(17)26-14-13-23-11-9-16(10-12-23)22-28(24,25)20-8-7-19(21)27-20/h3-8,15-16,22H,9-14H2,1-2H3
InChIKeyOTHKGLPCISDPKW-UHFFFAOYSA-N
XLogP4.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.03
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[5-(2-morpholin-4-ylethoxy)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide
CID 44388781
5-chloro-N-[5-[2-(4-hydroxypiperidin-1-yl)ethoxy]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide
CID 44388755
5-chloro-N-[5-[2-(2-methylpyrrolidin-1-yl)ethoxy]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide
CID 44388765
5-chloro-N-[5-(2-piperidin-1-ylethoxy)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide
CID 44391880
5-chloro-N-[5-[2-(2-methylpiperidin-1-yl)ethoxy]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide
CID 44391894
5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71449629
5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71449642
5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71449645
N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71451457
5-chloro-N-[(3R)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71451459
5-chloro-N-[(3R)-1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71451460
5-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 71453252

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 127037680) is 5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide is CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is OTHKGLPCISDPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3S2/c1-15(2)17-5-3-4-6-18(17)26-14-13-23-11-9-16(10-12-23)22-28(24,25)20-8-7-19(21)27-20/h3-8,15-16,22H,9-14H2,1-2H3.
What are the key properties of 5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide?
5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 443.03 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 127037680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).