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

C21H29N3O4S — CID 43001637

IUPACN-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCC(c2ccccc2)N(C)C)cc1
InChIInChI=1S/C21H29N3O4S/c1-4-28-18-10-12-19(13-11-18)29(26,27)23-15-14-21(25)22-16-20(24(2)3)17-8-6-5-7-9-17/h5-13,20,23H,4,14-16H2,1-3H3,(H,22,25)
InChIKeyCTNSPFJIRWDJSZ-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.17
Rot. Bonds11

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

N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (PubChem CID 43001637) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
PubChem CID43001637
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCC(c2ccccc2)N(C)C)cc1
InChIInChI=1S/C21H29N3O4S/c1-4-28-18-10-12-19(13-11-18)29(26,27)23-15-14-21(25)22-16-20(24(2)3)17-8-6-5-7-9-17/h5-13,20,23H,4,14-16H2,1-3H3,(H,22,25)
InChIKeyCTNSPFJIRWDJSZ-UHFFFAOYSA-N
XLogP2.17
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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]propanamide
CID 55337277
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653177
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55949741
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide
CID 41203632
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 24640206
3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide
CID 78843826
N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide
CID 7938232
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 27771241
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 27514876
(2S)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119238344

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (CID 43001637) is N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCC(c2ccccc2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is CTNSPFJIRWDJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-4-28-18-10-12-19(13-11-18)29(26,27)23-15-14-21(25)22-16-20(24(2)3)17-8-6-5-7-9-17/h5-13,20,23H,4,14-16H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 419.55 g/mol, XLogP of 2.17, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 43001637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).