2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide

C17H27N3O4S — CID 119513298

IUPAC2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide
SMILESCOc1ccc(S(=O)(=O)NC(C(=O)NCC2CCCN2)C(C)C)cc1
InChIInChI=1S/C17H27N3O4S/c1-12(2)16(17(21)19-11-13-5-4-10-18-13)20-25(22,23)15-8-6-14(24-3)7-9-15/h6-9,12-13,16,18,20H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKeyPOKHRTRFEHJRBQ-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.87
Rot. Bonds8

About 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide

2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide (PubChem CID 119513298) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide
PubChem CID119513298
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide
SMILESCOc1ccc(S(=O)(=O)NC(C(=O)NCC2CCCN2)C(C)C)cc1
InChIInChI=1S/C17H27N3O4S/c1-12(2)16(17(21)19-11-13-5-4-10-18-13)20-25(22,23)15-8-6-14(24-3)7-9-15/h6-9,12-13,16,18,20H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKeyPOKHRTRFEHJRBQ-UHFFFAOYSA-N
XLogP0.87
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510894
4-methoxy-N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]benzamide;hydrochloride
CID 119511819
2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119536771
4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974273
(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 24538272
3,5-dimethoxy-N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]benzamide;hydrochloride
CID 119513287
N-[2-(ethylamino)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide;hydrochloride
CID 119508078
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 29261446
N-(4-aminocyclohexyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide;hydrochloride
CID 119477705
(2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 6724357
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
CID 55938732
(2S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 55941312

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide (CID 119513298) is 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide is COc1ccc(S(=O)(=O)NC(C(=O)NCC2CCCN2)C(C)C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide?
The InChIKey is POKHRTRFEHJRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-12(2)16(17(21)19-11-13-5-4-10-18-13)20-25(22,23)15-8-6-14(24-3)7-9-15/h6-9,12-13,16,18,20H,4-5,10-11H2,1-3H3,(H,19,21).
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide?
2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide has a molecular weight of 369.49 g/mol, XLogP of 0.87, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide is sourced from PubChem (CID 119513298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).