(2S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide

C19H28N4O5S — CID 55936107

IUPAC(2S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
SMILESCOc1cccc(C(CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)N(C)C)c1
InChIInChI=1S/C19H28N4O5S/c1-12-18(14(3)28-21-12)29(25,26)22-13(2)19(24)20-11-17(23(4)5)15-8-7-9-16(10-15)27-6/h7-10,13,17,22H,11H2,1-6H3,(H,20,24)/t13-,17?/m0/s1
InChIKeyCJPWWHRCDQQJOG-CWQZNGJJSA-N
MW424.52 g/mol
LogP1.39
Rot. Bonds9

About (2S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide

(2S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide (PubChem CID 55936107) has the molecular formula C19H28N4O5S and a molecular weight of 424.52 g/mol. Its IUPAC name is (2S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
PubChem CID55936107
Molecular FormulaC19H28N4O5S
Molecular Weight424.52 g/mol
Exact Mass424.18
IUPAC Name(2S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
SMILESCOc1cccc(C(CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)N(C)C)c1
InChIInChI=1S/C19H28N4O5S/c1-12-18(14(3)28-21-12)29(25,26)22-13(2)19(24)20-11-17(23(4)5)15-8-7-9-16(10-15)27-6/h7-10,13,17,22H,11H2,1-6H3,(H,20,24)/t13-,17?/m0/s1
InChIKeyCJPWWHRCDQQJOG-CWQZNGJJSA-N
XLogP1.39
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 74229543
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 51925027
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 54991399
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79203822
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 55361997
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 55937487
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 55941738
2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 119830994
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 134056414
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 93157673
(2S)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94042770

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide (CID 55936107) is (2S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide is COc1cccc(C(CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)N(C)C)c1.
What is the InChIKey of (2S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
The InChIKey is CJPWWHRCDQQJOG-CWQZNGJJSA-N. The full InChI is InChI=1S/C19H28N4O5S/c1-12-18(14(3)28-21-12)29(25,26)22-13(2)19(24)20-11-17(23(4)5)15-8-7-9-16(10-15)27-6/h7-10,13,17,22H,11H2,1-6H3,(H,20,24)/t13-,17?/m0/s1.
What are the key properties of (2S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
(2S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide has a molecular weight of 424.52 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide is sourced from PubChem (CID 55936107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).