2-methyl-3-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide

C19H25N3O3S — CID 42869553

IUPAC2-methyl-3-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide
SMILESCC(C)c1ccc(C2C(S(=O)(=O)NCc3cccnc3)CON2C)cc1
InChIInChI=1S/C19H25N3O3S/c1-14(2)16-6-8-17(9-7-16)19-18(13-25-22(19)3)26(23,24)21-12-15-5-4-10-20-11-15/h4-11,14,18-19,21H,12-13H2,1-3H3
InChIKeyNTNJUXGJWOIOEK-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.61
Rot. Bonds6

About 2-methyl-3-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide

2-methyl-3-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 42869553) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-methyl-3-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-3-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide
PubChem CID42869553
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-methyl-3-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide
SMILESCC(C)c1ccc(C2C(S(=O)(=O)NCc3cccnc3)CON2C)cc1
InChIInChI=1S/C19H25N3O3S/c1-14(2)16-6-8-17(9-7-16)19-18(13-25-22(19)3)26(23,24)21-12-15-5-4-10-20-11-15/h4-11,14,18-19,21H,12-13H2,1-3H3
InChIKeyNTNJUXGJWOIOEK-UHFFFAOYSA-N
XLogP2.61
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869443
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CID 110400290
3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 110316795
4-methoxy-N-(2-pyridin-3-ylethyl)oxolane-3-sulfonamide
CID 166331942
(4R,5R)-5-(4-chlorophenyl)-1-methyl-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 97158629
2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 54973657
1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 75514588
(1S)-4-oxo-3-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 176521280
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 108784772
8-methyl-N-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131751
2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 25236333
N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-pyridin-3-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 2-methyl-3-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide (CID 42869553) is 2-methyl-3-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 2-methyl-3-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 2-methyl-3-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide is CC(C)c1ccc(C2C(S(=O)(=O)NCc3cccnc3)CON2C)cc1.
What is the InChIKey of 2-methyl-3-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is NTNJUXGJWOIOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14(2)16-6-8-17(9-7-16)19-18(13-25-22(19)3)26(23,24)21-12-15-5-4-10-20-11-15/h4-11,14,18-19,21H,12-13H2,1-3H3.
What are the key properties of 2-methyl-3-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide?
2-methyl-3-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide has a molecular weight of 375.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 42869553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).