3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide

C16H24N2O4S — CID 119510894

IUPAC3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)CC(C)C(=O)NCC2CCCN2)cc1
InChIInChI=1S/C16H24N2O4S/c1-12(16(19)18-10-13-4-3-9-17-13)11-23(20,21)15-7-5-14(22-2)6-8-15/h5-8,12-13,17H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyVXGGEILLOMFHLY-UHFFFAOYSA-N
MW340.44 g/mol
LogP0.97
Rot. Bonds7

About 3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide

3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 119510894) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID119510894
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)CC(C)C(=O)NCC2CCCN2)cc1
InChIInChI=1S/C16H24N2O4S/c1-12(16(19)18-10-13-4-3-9-17-13)11-23(20,21)15-7-5-14(22-2)6-8-15/h5-8,12-13,17H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyVXGGEILLOMFHLY-UHFFFAOYSA-N
XLogP0.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119513298
(2S)-2-[(4-methoxyphenyl)sulfonylmethyl]pyrrolidine
CID 42263004
4-methoxy-N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]benzamide;hydrochloride
CID 119511819
N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 119613885
1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea
CID 117235618
4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974273
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride
CID 120887429
(2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid
CID 119370188
(2R)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid
CID 28753247
3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510409
2-(4-methoxyphenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514483
4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511489

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide (CID 119510894) is 3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide is COc1ccc(S(=O)(=O)CC(C)C(=O)NCC2CCCN2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is VXGGEILLOMFHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12(16(19)18-10-13-4-3-9-17-13)11-23(20,21)15-7-5-14(22-2)6-8-15/h5-8,12-13,17H,3-4,9-11H2,1-2H3,(H,18,19).
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide?
3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 340.44 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 119510894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).