N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide

C21H28N2O3S2 — CID 55923006

IUPACN-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)CC(NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccs1
InChIInChI=1S/C21H28N2O3S2/c1-16(2)14-19(20-10-7-13-27-20)22-21(24)17-8-6-9-18(15-17)28(25,26)23-11-4-3-5-12-23/h6-10,13,15-16,19H,3-5,11-12,14H2,1-2H3,(H,22,24)
InChIKeyKKKZMXWEVGEYDH-UHFFFAOYSA-N
MW420.60 g/mol
LogP4.44
Rot. Bonds7

About N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide

N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 55923006) has the molecular formula C21H28N2O3S2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID55923006
Molecular FormulaC21H28N2O3S2
Molecular Weight420.60 g/mol
Exact Mass420.15
IUPAC NameN-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)CC(NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccs1
InChIInChI=1S/C21H28N2O3S2/c1-16(2)14-19(20-10-7-13-27-20)22-21(24)17-8-6-9-18(15-17)28(25,26)23-11-4-3-5-12-23/h6-10,13,15-16,19H,3-5,11-12,14H2,1-2H3,(H,22,24)
InChIKeyKKKZMXWEVGEYDH-UHFFFAOYSA-N
XLogP4.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 25360181
N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 132664657
N-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 51484712
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690
N-[1-oxo-1-[2-(3-piperidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]thiophene-2-carboxamide
CID 55489674
3-(azepan-1-ylsulfonyl)-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 99131768
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide
CID 55923133
2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110829053
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9301531
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7936606
N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 7929606

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide (CID 55923006) is N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide is CC(C)CC(NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccs1.
What is the InChIKey of N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is KKKZMXWEVGEYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S2/c1-16(2)14-19(20-10-7-13-27-20)22-21(24)17-8-6-9-18(15-17)28(25,26)23-11-4-3-5-12-23/h6-10,13,15-16,19H,3-5,11-12,14H2,1-2H3,(H,22,24).
What are the key properties of N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide?
N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 420.60 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55923006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).