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

C19H24N2O3S2 — CID 31009711

IUPACN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
SMILESCc1ccc(NC(=O)CCc2cccs2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H24N2O3S2/c1-15-7-8-16(20-19(22)10-9-17-6-5-13-25-17)14-18(15)26(23,24)21-11-3-2-4-12-21/h5-8,13-14H,2-4,9-12H2,1H3,(H,20,22)
InChIKeyHFRKINQCLNVPLF-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.80
Rot. Bonds6

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

N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide (PubChem CID 31009711) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
PubChem CID31009711
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
SMILESCc1ccc(NC(=O)CCc2cccs2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H24N2O3S2/c1-15-7-8-16(20-19(22)10-9-17-6-5-13-25-17)14-18(15)26(23,24)21-11-3-2-4-12-21/h5-8,13-14H,2-4,9-12H2,1H3,(H,20,22)
InChIKeyHFRKINQCLNVPLF-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-thiophen-2-ylacetamide
CID 4303625
N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 8614889
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 34367905
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 134012902
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide
CID 35728693
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-pyrazol-1-ylpropanamide
CID 86979931
4-(2,5-dimethylthiophen-3-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide
CID 24635501
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 17454590
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24501895

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide (CID 31009711) is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide is Cc1ccc(NC(=O)CCc2cccs2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is HFRKINQCLNVPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-15-7-8-16(20-19(22)10-9-17-6-5-13-25-17)14-18(15)26(23,24)21-11-3-2-4-12-21/h5-8,13-14H,2-4,9-12H2,1H3,(H,20,22).
What are the key properties of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide?
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 392.55 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 31009711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).