N-[2-(N-ethyl-2-methylanilino)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C24H33N3O3S — CID 55717682

IUPACN-[2-(N-ethyl-2-methylanilino)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCCN(CCNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1C
InChIInChI=1S/C24H33N3O3S/c1-3-26(23-9-5-4-8-20(23)2)19-16-25-24(28)15-12-21-10-13-22(14-11-21)31(29,30)27-17-6-7-18-27/h4-5,8-11,13-14H,3,6-7,12,15-19H2,1-2H3,(H,25,28)
InChIKeyGRARGKRRRKYSDY-UHFFFAOYSA-N
MW443.61 g/mol
LogP3.35
Rot. Bonds10

About N-[2-(N-ethyl-2-methylanilino)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-[2-(N-ethyl-2-methylanilino)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 55717682) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is N-[2-(N-ethyl-2-methylanilino)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-2-methylanilino)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID55717682
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC NameN-[2-(N-ethyl-2-methylanilino)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCCN(CCNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1C
InChIInChI=1S/C24H33N3O3S/c1-3-26(23-9-5-4-8-20(23)2)19-16-25-24(28)15-12-21-10-13-22(14-11-21)31(29,30)27-17-6-7-18-27/h4-5,8-11,13-14H,3,6-7,12,15-19H2,1-2H3,(H,25,28)
InChIKeyGRARGKRRRKYSDY-UHFFFAOYSA-N
XLogP3.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 9204753
N-(2,6-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 16567459
N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24550613
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562876
3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide
CID 100796461
N-(3-aminopropyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119405466
N-(2-benzylsulfanylethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27861128
N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43016058
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 30954787
3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide
CID 100796384
N-[2-(3-fluorophenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 26996547
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 55717682) is N-[2-(N-ethyl-2-methylanilino)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[2-(N-ethyl-2-methylanilino)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[2-(N-ethyl-2-methylanilino)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is CCN(CCNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1C.
What is the InChIKey of N-[2-(N-ethyl-2-methylanilino)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is GRARGKRRRKYSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-3-26(23-9-5-4-8-20(23)2)19-16-25-24(28)15-12-21-10-13-22(14-11-21)31(29,30)27-17-6-7-18-27/h4-5,8-11,13-14H,3,6-7,12,15-19H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(N-ethyl-2-methylanilino)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-[2-(N-ethyl-2-methylanilino)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 443.61 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-2-methylanilino)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55717682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).