2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide

C19H30N2O3S — CID 55347248

IUPAC2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C19H30N2O3S/c1-4-11-20(12-5-2)19(22)18-15-17(10-9-16(18)3)25(23,24)21-13-7-6-8-14-21/h9-10,15H,4-8,11-14H2,1-3H3
InChIKeyQXKXSEZDXXJYTJ-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.43
Rot. Bonds7

About 2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide

2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide (PubChem CID 55347248) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide.

Molecular Properties

Compound Name2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide
PubChem CID55347248
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C19H30N2O3S/c1-4-11-20(12-5-2)19(22)18-15-17(10-9-16(18)3)25(23,24)21-13-7-6-8-14-21/h9-10,15H,4-8,11-14H2,1-3H3
InChIKeyQXKXSEZDXXJYTJ-UHFFFAOYSA-N
XLogP3.43
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119191193
5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850
2-methyl-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982783
N,2-dimethyl-N-(1-methylpiperidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2361083
N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
CID 55372562
2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid
CID 119194905
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798
1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 15996290
N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 99144006
2-methyl-5-piperidin-1-ylsulfonyl-N-prop-2-ynylbenzamide
CID 7997753
N-[(4-bromophenyl)methyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
CID 31145350
2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 78855508

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide?
The IUPAC name of 2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide (CID 55347248) is 2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide.
What is the SMILES notation for 2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide?
The canonical SMILES for 2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C.
What is the InChIKey of 2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide?
The InChIKey is QXKXSEZDXXJYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-4-11-20(12-5-2)19(22)18-15-17(10-9-16(18)3)25(23,24)21-13-7-6-8-14-21/h9-10,15H,4-8,11-14H2,1-3H3.
What are the key properties of 2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide?
2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide has a molecular weight of 366.53 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide is sourced from PubChem (CID 55347248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).