N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide

C23H31N3O3S — CID 56522063

IUPACN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
SMILESCCN(C)C(C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H31N3O3S/c1-3-25(2)22(20-10-6-4-7-11-20)23(27)24-18-19-14-16-26(17-15-19)30(28,29)21-12-8-5-9-13-21/h4-13,19,22H,3,14-18H2,1-2H3,(H,24,27)
InChIKeyMDXAAFLNOHGQEM-UHFFFAOYSA-N
MW429.59 g/mol
LogP2.90
Rot. Bonds8

About N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide

N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide (PubChem CID 56522063) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
PubChem CID56522063
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
SMILESCCN(C)C(C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H31N3O3S/c1-3-25(2)22(20-10-6-4-7-11-20)23(27)24-18-19-14-16-26(17-15-19)30(28,29)21-12-8-5-9-13-21/h4-13,19,22H,3,14-18H2,1-2H3,(H,24,27)
InChIKeyMDXAAFLNOHGQEM-UHFFFAOYSA-N
XLogP2.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 124811415
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 49065807
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-butylsulfanylpropanamide
CID 49065427
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56506114
2-[ethyl(methyl)amino]-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513409
(2R)-N-(cyclohexylmethyl)-2-(dimethylamino)-2-phenylacetamide
CID 100566223
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-[[benzyl(methyl)amino]methyl]benzamide
CID 60616235
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide
CID 60604892
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide
CID 110353175
N-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 49065469
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine
CID 110930259
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111636558

Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide?
The IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide (CID 56522063) is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide?
The canonical SMILES for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide is CCN(C)C(C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide?
The InChIKey is MDXAAFLNOHGQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-3-25(2)22(20-10-6-4-7-11-20)23(27)24-18-19-14-16-26(17-15-19)30(28,29)21-12-8-5-9-13-21/h4-13,19,22H,3,14-18H2,1-2H3,(H,24,27).
What are the key properties of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide?
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide has a molecular weight of 429.59 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide is sourced from PubChem (CID 56522063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).