(2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide

C16H15N3O4S2 — CID 2138822

IUPAC(2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1
InChIInChI=1S/C16H15N3O4S2/c1-10(23-11-5-3-2-4-6-11)15(20)19-16-18-13-8-7-12(25(17,21)22)9-14(13)24-16/h2-10H,1H3,(H2,17,21,22)(H,18,19,20)/t10-/m0/s1
InChIKeyGVCSRUVUNORRQZ-JTQLQIEISA-N
MW377.45 g/mol
LogP2.35
Rot. Bonds5

About (2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide

(2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 2138822) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID2138822
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC Name(2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1
InChIInChI=1S/C16H15N3O4S2/c1-10(23-11-5-3-2-4-6-11)15(20)19-16-18-13-8-7-12(25(17,21)22)9-14(13)24-16/h2-10H,1H3,(H2,17,21,22)(H,18,19,20)/t10-/m0/s1
InChIKeyGVCSRUVUNORRQZ-JTQLQIEISA-N
XLogP2.35
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide
CID 2138821
2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 2932306
(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 1370678
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7919906
2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 55625107
2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 19203932
N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(4-phenylphenoxy)propanamide
CID 19219498
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)propanamide
CID 18837926
2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide
CID 46305080
2-(3,5-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 18853986
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 18853997
2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
CID 7254675

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide (CID 2138822) is (2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide is C[C@H](Oc1ccccc1)C(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1.
What is the InChIKey of (2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is GVCSRUVUNORRQZ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-10(23-11-5-3-2-4-6-11)15(20)19-16-18-13-8-7-12(25(17,21)22)9-14(13)24-16/h2-10H,1H3,(H2,17,21,22)(H,18,19,20)/t10-/m0/s1.
What are the key properties of (2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide?
(2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 377.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 2138822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).