N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide

C21H28N2O3S2 — CID 26328630

IUPACN-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide
SMILESCc1ccc(S(=O)(=O)N2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)s1
InChIInChI=1S/C21H28N2O3S2/c1-17-8-11-21(27-17)28(25,26)23-14-12-18(13-15-23)9-10-20(24)22(2)16-19-6-4-3-5-7-19/h3-8,11,18H,9-10,12-16H2,1-2H3
InChIKeyFUNVPQZLTJKWPB-UHFFFAOYSA-N
MW420.60 g/mol
LogP3.90
Rot. Bonds7

About N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide

N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide (PubChem CID 26328630) has the molecular formula C21H28N2O3S2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide
PubChem CID26328630
Molecular FormulaC21H28N2O3S2
Molecular Weight420.60 g/mol
Exact Mass420.15
IUPAC NameN-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide
SMILESCc1ccc(S(=O)(=O)N2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)s1
InChIInChI=1S/C21H28N2O3S2/c1-17-8-11-21(27-17)28(25,26)23-14-12-18(13-15-23)9-10-20(24)22(2)16-19-6-4-3-5-7-19/h3-8,11,18H,9-10,12-16H2,1-2H3
InChIKeyFUNVPQZLTJKWPB-UHFFFAOYSA-N
XLogP3.90
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]acetic acid
CID 78980451
3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 110874340
N-benzyl-1-(5-bromothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 112760133
3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide
CID 91903765
N-benzyl-N-methyl-3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]propanamide
CID 42592757
4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 90589444
N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97268661
3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide
CID 25366346
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62215968
(3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide
CID 26393824
N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide
CID 42456995
N-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 53118998

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide?
The IUPAC name of N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide (CID 26328630) is N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide is Cc1ccc(S(=O)(=O)N2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)s1.
What is the InChIKey of N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide?
The InChIKey is FUNVPQZLTJKWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S2/c1-17-8-11-21(27-17)28(25,26)23-14-12-18(13-15-23)9-10-20(24)22(2)16-19-6-4-3-5-7-19/h3-8,11,18H,9-10,12-16H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide?
N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide has a molecular weight of 420.60 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide is sourced from PubChem (CID 26328630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).