N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide

C22H30N2O4S2 — CID 26265407

IUPACN-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCc1cccs1
InChIInChI=1S/C22H30N2O4S2/c1-17(2)28-21-12-11-19(30(26,27)24-13-4-3-5-14-24)16-20(21)23-22(25)10-6-8-18-9-7-15-29-18/h7,9,11-12,15-17H,3-6,8,10,13-14H2,1-2H3,(H,23,25)
InChIKeySVZHQGNYKVLGDN-UHFFFAOYSA-N
MW450.63 g/mol
LogP4.67
Rot. Bonds9

About N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide

N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide (PubChem CID 26265407) has the molecular formula C22H30N2O4S2 and a molecular weight of 450.63 g/mol. Its IUPAC name is N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide
PubChem CID26265407
Molecular FormulaC22H30N2O4S2
Molecular Weight450.63 g/mol
Exact Mass450.16
IUPAC NameN-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCc1cccs1
InChIInChI=1S/C22H30N2O4S2/c1-17(2)28-21-12-11-19(30(26,27)24-13-4-3-5-14-24)16-20(21)23-22(25)10-6-8-18-9-7-15-29-18/h7,9,11-12,15-17H,3-6,8,10,13-14H2,1-2H3,(H,23,25)
InChIKeySVZHQGNYKVLGDN-UHFFFAOYSA-N
XLogP4.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide
CID 9466304
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxo-5-thiophen-2-ylpentanamide
CID 30748289
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 30843558
[2-oxo-2-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyanilino)ethyl] (E)-but-2-enoate
CID 9080829
2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 43077603
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide
CID 7761073
N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 8614889
5-bromo-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 26265446
2-(2-methylindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
CID 16566576
cis-(1S,2R)-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 26265477
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide
CID 5110890
5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide (CID 26265407) is N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide is CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCc1cccs1.
What is the InChIKey of N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide?
The InChIKey is SVZHQGNYKVLGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S2/c1-17(2)28-21-12-11-19(30(26,27)24-13-4-3-5-14-24)16-20(21)23-22(25)10-6-8-18-9-7-15-29-18/h7,9,11-12,15-17H,3-6,8,10,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide?
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide has a molecular weight of 450.63 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 26265407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).