N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

C22H31N3O5S — CID 55337277

IUPACN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCC(c2cccc(OC)c2)N(C)C)cc1
InChIInChI=1S/C22H31N3O5S/c1-5-30-18-9-11-20(12-10-18)31(27,28)24-14-13-22(26)23-16-21(25(2)3)17-7-6-8-19(15-17)29-4/h6-12,15,21,24H,5,13-14,16H2,1-4H3,(H,23,26)
InChIKeyZGOLUYLWGXCQNV-UHFFFAOYSA-N
MW449.57 g/mol
LogP2.18
Rot. Bonds12

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (PubChem CID 55337277) has the molecular formula C22H31N3O5S and a molecular weight of 449.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
PubChem CID55337277
Molecular FormulaC22H31N3O5S
Molecular Weight449.57 g/mol
Exact Mass449.20
IUPAC NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCC(c2cccc(OC)c2)N(C)C)cc1
InChIInChI=1S/C22H31N3O5S/c1-5-30-18-9-11-20(12-10-18)31(27,28)24-14-13-22(26)23-16-21(25(2)3)17-7-6-8-19(15-17)29-4/h6-12,15,21,24H,5,13-14,16H2,1-4H3,(H,23,26)
InChIKeyZGOLUYLWGXCQNV-UHFFFAOYSA-N
XLogP2.18
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43001637
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55949346
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 43017221
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 27771241
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653177
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate
CID 99788340
4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
CID 24710565
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-ethylphenyl)propanamide
CID 43044979
2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796210
3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide
CID 78843826
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 51473251

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (CID 55337277) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCC(c2cccc(OC)c2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is ZGOLUYLWGXCQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5S/c1-5-30-18-9-11-20(12-10-18)31(27,28)24-14-13-22(26)23-16-21(25(2)3)17-7-6-8-19(15-17)29-4/h6-12,15,21,24H,5,13-14,16H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 449.57 g/mol, XLogP of 2.18, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55337277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).