1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone

C15H17N3O4S2 — CID 110824781

IUPAC1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone
SMILESO=C(CNc1nccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H17N3O4S2/c19-14(11-17-15-16-4-9-23-15)12-2-1-3-13(10-12)24(20,21)18-5-7-22-8-6-18/h1-4,9-10H,5-8,11H2,(H,16,17)
InChIKeyNFOVBABONGJNJD-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.46
Rot. Bonds6

About 1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone

1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone (PubChem CID 110824781) has the molecular formula C15H17N3O4S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone
PubChem CID110824781
Molecular FormulaC15H17N3O4S2
Molecular Weight367.45 g/mol
Exact Mass367.07
IUPAC Name1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone
SMILESO=C(CNc1nccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H17N3O4S2/c19-14(11-17-15-16-4-9-23-15)12-2-1-3-13(10-12)24(20,21)18-5-7-22-8-6-18/h1-4,9-10H,5-8,11H2,(H,16,17)
InChIKeyNFOVBABONGJNJD-UHFFFAOYSA-N
XLogP1.46
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110824761
1-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethanone
CID 110829610
2-(4-morpholin-4-ylsulfonylanilino)-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828945
2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110824752
ethyl 2-[[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl]amino]-1,3-benzothiazole-6-carboxylate
CID 110829557
2-methylpropyl 4-methyl-2-[[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate
CID 110829506
3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2117884
2-(2,5-dimethoxyanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110824762
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide
CID 77097656
2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828958
2-[[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 110829489

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone?
The IUPAC name of 1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone (CID 110824781) is 1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone.
What is the SMILES notation for 1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone?
The canonical SMILES for 1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone is O=C(CNc1nccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone?
The InChIKey is NFOVBABONGJNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S2/c19-14(11-17-15-16-4-9-23-15)12-2-1-3-13(10-12)24(20,21)18-5-7-22-8-6-18/h1-4,9-10H,5-8,11H2,(H,16,17).
What are the key properties of 1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone?
1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone has a molecular weight of 367.45 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone is sourced from PubChem (CID 110824781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).