N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide

C21H26N2O3S2 — CID 90496092

IUPACN-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(CCc1cccs1)C1CC1
InChIInChI=1S/C21H26N2O3S2/c24-21(23(18-8-9-18)15-12-19-5-4-16-27-19)17-6-10-20(11-7-17)28(25,26)22-13-2-1-3-14-22/h4-7,10-11,16,18H,1-3,8-9,12-15H2
InChIKeyBRTUNZAQEQNYRR-UHFFFAOYSA-N
MW418.58 g/mol
LogP3.77
Rot. Bonds7

About N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide

N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 90496092) has the molecular formula C21H26N2O3S2 and a molecular weight of 418.58 g/mol. Its IUPAC name is N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID90496092
Molecular FormulaC21H26N2O3S2
Molecular Weight418.58 g/mol
Exact Mass418.14
IUPAC NameN-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(CCc1cccs1)C1CC1
InChIInChI=1S/C21H26N2O3S2/c24-21(23(18-8-9-18)15-12-19-5-4-16-27-19)17-6-10-20(11-7-17)28(25,26)22-13-2-1-3-14-22/h4-7,10-11,16,18H,1-3,8-9,12-15H2
InChIKeyBRTUNZAQEQNYRR-UHFFFAOYSA-N
XLogP3.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 8614889
1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 1452394
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 30125667
N-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 90583280
N-(4-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 1305863
N-methyl-4-piperidin-1-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
CID 24552647
1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 3214808
N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55372961
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 39337246
N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 72717917
1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 60580836
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 34410005

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide (CID 90496092) is N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide is O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(CCc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is BRTUNZAQEQNYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S2/c24-21(23(18-8-9-18)15-12-19-5-4-16-27-19)17-6-10-20(11-7-17)28(25,26)22-13-2-1-3-14-22/h4-7,10-11,16,18H,1-3,8-9,12-15H2.
What are the key properties of N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 418.58 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 90496092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).