1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide

C20H31N3O4S — CID 31976227

IUPAC1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C20H31N3O4S/c1-4-12-22(15-19(24)21-18-9-7-6-8-16(18)3)20(25)17-10-13-23(14-11-17)28(26,27)5-2/h6-9,17H,4-5,10-15H2,1-3H3,(H,21,24)
InChIKeyTYMMNHHSOLHNGV-UHFFFAOYSA-N
MW409.55 g/mol
LogP2.23
Rot. Bonds8

About 1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide

1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide (PubChem CID 31976227) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
PubChem CID31976227
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC Name1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C20H31N3O4S/c1-4-12-22(15-19(24)21-18-9-7-6-8-16(18)3)20(25)17-10-13-23(14-11-17)28(26,27)5-2/h6-9,17H,4-5,10-15H2,1-3H3,(H,21,24)
InChIKeyTYMMNHHSOLHNGV-UHFFFAOYSA-N
XLogP2.23
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 38692821
1-ethylsulfonyl-N,N-dipropylpiperidine-4-carboxamide
CID 113005924
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylcyclopropane-1-carboxamide
CID 42990004
4-(azepan-1-ylsulfonyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 24817036
3-N-[2-(2-methylanilino)-2-oxoethyl]-1-N-(3-methylphenyl)-3-N-propylpiperidine-1,3-dicarboxamide
CID 60543866
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 6472618
N-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 78816923
N-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide
CID 112840661
1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 55690567
ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]-methylsulfonylamino]piperidine-1-carboxylate
CID 113152680

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide (CID 31976227) is 1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)C1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is TYMMNHHSOLHNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-4-12-22(15-19(24)21-18-9-7-6-8-16(18)3)20(25)17-10-13-23(14-11-17)28(26,27)5-2/h6-9,17H,4-5,10-15H2,1-3H3,(H,21,24).
What are the key properties of 1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 409.55 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 31976227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).