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

C15H21N3O4S2 — CID 55937345

IUPAC(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C15H21N3O4S2/c1-5-18(9-13-7-6-8-23-13)15(19)11(3)17-24(20,21)14-10(2)16-22-12(14)4/h6-8,11,17H,5,9H2,1-4H3/t11-/m0/s1
InChIKeyJOEDMJDLDOPLAP-NSHDSACASA-N
MW371.48 g/mol
LogP2.07
Rot. Bonds7

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

(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 55937345) has the molecular formula C15H21N3O4S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID55937345
Molecular FormulaC15H21N3O4S2
Molecular Weight371.48 g/mol
Exact Mass371.10
IUPAC Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C15H21N3O4S2/c1-5-18(9-13-7-6-8-23-13)15(19)11(3)17-24(20,21)14-10(2)16-22-12(14)4/h6-8,11,17H,5,9H2,1-4H3/t11-/m0/s1
InChIKeyJOEDMJDLDOPLAP-NSHDSACASA-N
XLogP2.07
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide with MolForge

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Related Compounds

(2S)-N-[2-(diethylamino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-methylpropanamide
CID 39947705
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl-(2-methylpropyl)amino]acetic acid
CID 119192641
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55909310
N-[1-[ethyl(thiophen-2-ylmethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 134019558
N-ethyl-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 79201660
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8002079
2-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271522
2-(aminomethyl)-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 65230128
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 78806436
3,5-dimethyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 78802171
N-ethyl-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014388
N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide
CID 155945653

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide (CID 55937345) is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide is CCN(Cc1cccs1)C(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is JOEDMJDLDOPLAP-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O4S2/c1-5-18(9-13-7-6-8-23-13)15(19)11(3)17-24(20,21)14-10(2)16-22-12(14)4/h6-8,11,17H,5,9H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide?
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 371.48 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 55937345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).