3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide

C22H29N3O3S — CID 112807048

IUPAC3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCCN(CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)Cc1ccccc1
InChIInChI=1S/C22H29N3O3S/c1-2-24(18-19-9-4-3-5-10-19)16-13-22(26)23-20-11-8-12-21(17-20)29(27,28)25-14-6-7-15-25/h3-5,8-12,17H,2,6-7,13-16,18H2,1H3,(H,23,26)
InChIKeyRKKQZLQARVABLY-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.32
Rot. Bonds9

About 3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide

3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 112807048) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID112807048
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCCN(CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)Cc1ccccc1
InChIInChI=1S/C22H29N3O3S/c1-2-24(18-19-9-4-3-5-10-19)16-13-22(26)23-20-11-8-12-21(17-20)29(27,28)25-14-6-7-15-25/h3-5,8-12,17H,2,6-7,13-16,18H2,1H3,(H,23,26)
InChIKeyRKKQZLQARVABLY-UHFFFAOYSA-N
XLogP3.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methyl-ethylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 52682337
2-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 55838681
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
3-[methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]propanoic acid
CID 119911319
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(diethylaminomethyl)phenyl]-4-oxobutanamide
CID 55632599
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[benzyl(ethyl)amino]acetamide
CID 8563826
2-[benzyl(ethyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 8541265
1-(benzenesulfonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43073815
2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7377209
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8718133

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 112807048) is 3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide is CCN(CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is RKKQZLQARVABLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-2-24(18-19-9-4-3-5-10-19)16-13-22(26)23-20-11-8-12-21(17-20)29(27,28)25-14-6-7-15-25/h3-5,8-12,17H,2,6-7,13-16,18H2,1H3,(H,23,26).
What are the key properties of 3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 415.56 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 112807048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).