(2S)-N-[2-(diethylamino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-methylpropanamide

C15H26N4O5S — CID 39947705

IUPAC(2S)-N-[2-(diethylamino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-methylpropanamide
SMILESCCN(CC)C(=O)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C15H26N4O5S/c1-7-19(8-2)13(20)9-18(6)15(21)11(4)17-25(22,23)14-10(3)16-24-12(14)5/h11,17H,7-9H2,1-6H3/t11-/m0/s1
InChIKeyHKMXGRLATQMLML-NSHDSACASA-N
MW374.46 g/mol
LogP0.29
Rot. Bonds8

About (2S)-N-[2-(diethylamino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-methylpropanamide

(2S)-N-[2-(diethylamino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-methylpropanamide (PubChem CID 39947705) has the molecular formula C15H26N4O5S and a molecular weight of 374.46 g/mol. Its IUPAC name is (2S)-N-[2-(diethylamino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(diethylamino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-methylpropanamide
PubChem CID39947705
Molecular FormulaC15H26N4O5S
Molecular Weight374.46 g/mol
Exact Mass374.16
IUPAC Name(2S)-N-[2-(diethylamino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-methylpropanamide
SMILESCCN(CC)C(=O)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C15H26N4O5S/c1-7-19(8-2)13(20)9-18(6)15(21)11(4)17-25(22,23)14-10(3)16-24-12(14)5/h11,17H,7-9H2,1-6H3/t11-/m0/s1
InChIKeyHKMXGRLATQMLML-NSHDSACASA-N
XLogP0.29
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(diethylamino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of (2S)-N-[2-(diethylamino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-methylpropanamide (CID 39947705) is (2S)-N-[2-(diethylamino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for (2S)-N-[2-(diethylamino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for (2S)-N-[2-(diethylamino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-methylpropanamide is CCN(CC)C(=O)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of (2S)-N-[2-(diethylamino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-methylpropanamide?
The InChIKey is HKMXGRLATQMLML-NSHDSACASA-N. The full InChI is InChI=1S/C15H26N4O5S/c1-7-19(8-2)13(20)9-18(6)15(21)11(4)17-25(22,23)14-10(3)16-24-12(14)5/h11,17H,7-9H2,1-6H3/t11-/m0/s1.
What are the key properties of (2S)-N-[2-(diethylamino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-methylpropanamide?
(2S)-N-[2-(diethylamino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-methylpropanamide has a molecular weight of 374.46 g/mol, XLogP of 0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(diethylamino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 39947705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).