5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide

C20H26N2O4S2 — CID 26265454

IUPAC5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)s1
InChIInChI=1S/C20H26N2O4S2/c1-14(2)26-18-9-8-16(28(24,25)22-11-5-4-6-12-22)13-17(18)21-20(23)19-10-7-15(3)27-19/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,21,23)
InChIKeyLQFJOIYGMDJIEY-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.27
Rot. Bonds6

About 5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide

5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide (PubChem CID 26265454) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide
PubChem CID26265454
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC Name5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)s1
InChIInChI=1S/C20H26N2O4S2/c1-14(2)26-18-9-8-16(28(24,25)22-11-5-4-6-12-22)13-17(18)21-20(23)19-10-7-15(3)27-19/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,21,23)
InChIKeyLQFJOIYGMDJIEY-UHFFFAOYSA-N
XLogP4.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 26265446
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide
CID 7761073
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide
CID 5110890
2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 43077603
cis-(1S,2R)-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 26265477
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 4789512
3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide
CID 29457912
methyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate
CID 30748288
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 51127906
[2-oxo-2-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyanilino)ethyl] (E)-but-2-enoate
CID 9080829
2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 16552159
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide
CID 26265407

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide (CID 26265454) is 5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)s1.
What is the InChIKey of 5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide?
The InChIKey is LQFJOIYGMDJIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-14(2)26-18-9-8-16(28(24,25)22-11-5-4-6-12-22)13-17(18)21-20(23)19-10-7-15(3)27-19/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,21,23).
What are the key properties of 5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide?
5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 26265454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).