N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide

C18H22N2O3S2 — CID 8614889

IUPACN-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H22N2O3S2/c21-18(11-8-16-5-4-14-24-16)19-15-6-9-17(10-7-15)25(22,23)20-12-2-1-3-13-20/h4-7,9-10,14H,1-3,8,11-13H2,(H,19,21)
InChIKeyFPEBVDLVFNGWCT-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.49
Rot. Bonds6

About N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide

N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide (PubChem CID 8614889) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
PubChem CID8614889
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H22N2O3S2/c21-18(11-8-16-5-4-14-24-16)19-15-6-9-17(10-7-15)25(22,23)20-12-2-1-3-13-20/h4-7,9-10,14H,1-3,8,11-13H2,(H,19,21)
InChIKeyFPEBVDLVFNGWCT-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 1305863
N-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride
CID 53347816
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 31009711
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide
CID 9466304
N-(4-piperidin-1-ylsulfonylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134049827
4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 6968365
3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 3163464
(2R)-2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8516869
methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 650944
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8718360
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 30125667
N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27700420

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide (CID 8614889) is N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is FPEBVDLVFNGWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c21-18(11-8-16-5-4-14-24-16)19-15-6-9-17(10-7-15)25(22,23)20-12-2-1-3-13-20/h4-7,9-10,14H,1-3,8,11-13H2,(H,19,21).
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide?
N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 378.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 8614889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).