3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide

C19H30N2O4S — CID 110301624

IUPAC3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(C)Oc1ccc(S(=O)(=O)CCC(=O)NCC(C)N2CCCC2)cc1
InChIInChI=1S/C19H30N2O4S/c1-15(2)25-17-6-8-18(9-7-17)26(23,24)13-10-19(22)20-14-16(3)21-11-4-5-12-21/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,20,22)
InChIKeyGWDJTVHZAIABDM-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.24
Rot. Bonds9

About 3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide

3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 110301624) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
PubChem CID110301624
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(C)Oc1ccc(S(=O)(=O)CCC(=O)NCC(C)N2CCCC2)cc1
InChIInChI=1S/C19H30N2O4S/c1-15(2)25-17-6-8-18(9-7-17)26(23,24)13-10-19(22)20-14-16(3)21-11-4-5-12-21/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,20,22)
InChIKeyGWDJTVHZAIABDM-UHFFFAOYSA-N
XLogP2.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide
CID 112502420
1-(4-methylpiperazin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one
CID 110298406
N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298420
N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298461
1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one
CID 110298398
N-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298456
N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298469
4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide
CID 110301716
2-(4-ethoxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 112502322
3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110620424
3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide
CID 95289837
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one
CID 110416540

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide (CID 110301624) is 3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide is CC(C)Oc1ccc(S(=O)(=O)CCC(=O)NCC(C)N2CCCC2)cc1.
What is the InChIKey of 3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is GWDJTVHZAIABDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-15(2)25-17-6-8-18(9-7-17)26(23,24)13-10-19(22)20-14-16(3)21-11-4-5-12-21/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,20,22).
What are the key properties of 3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide?
3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 382.53 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 110301624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).