N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

C25H35N3O4S — CID 42987404

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)N(C)C)cc1
InChIInChI=1S/C25H35N3O4S/c1-27(2)24(21-10-12-22(32-3)13-11-21)19-26-25(29)16-9-20-7-14-23(15-8-20)33(30,31)28-17-5-4-6-18-28/h7-8,10-15,24H,4-6,9,16-19H2,1-3H3,(H,26,29)
InChIKeyWTBILQJDEWQXHS-UHFFFAOYSA-N
MW473.64 g/mol
LogP3.22
Rot. Bonds10

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 42987404) has the molecular formula C25H35N3O4S and a molecular weight of 473.64 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID42987404
Molecular FormulaC25H35N3O4S
Molecular Weight473.64 g/mol
Exact Mass473.23
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)N(C)C)cc1
InChIInChI=1S/C25H35N3O4S/c1-27(2)24(21-10-12-22(32-3)13-11-21)19-26-25(29)16-9-20-7-14-23(15-8-20)33(30,31)28-17-5-4-6-18-28/h7-8,10-15,24H,4-6,9,16-19H2,1-3H3,(H,26,29)
InChIKeyWTBILQJDEWQXHS-UHFFFAOYSA-N
XLogP3.22
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43017141
N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43016058
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 25409009
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 43056932
N-(2-acetamidoethyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 9204753
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 40938284
3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 4822535
N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55921189
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43873489
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
(4-propan-2-ylphenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 18283365
3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
CID 42990397

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 42987404) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is COc1ccc(C(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is WTBILQJDEWQXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4S/c1-27(2)24(21-10-12-22(32-3)13-11-21)19-26-25(29)16-9-20-7-14-23(15-8-20)33(30,31)28-17-5-4-6-18-28/h7-8,10-15,24H,4-6,9,16-19H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 473.64 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 42987404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).