2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide

C19H21N3O3S2 — CID 8537714

IUPAC2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)CN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21N3O3S2/c1-3-14(2)20-18(23)13-22(27(24,25)15-9-5-4-6-10-15)19-21-16-11-7-8-12-17(16)26-19/h4-12,14H,3,13H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyLXAVRHWKXDJJMA-AWEZNQCLSA-N
MW403.53 g/mol
LogP3.41
Rot. Bonds7

About 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide

2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide (PubChem CID 8537714) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide
PubChem CID8537714
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC Name2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)CN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21N3O3S2/c1-3-14(2)20-18(23)13-22(27(24,25)15-9-5-4-6-10-15)19-21-16-11-7-8-12-17(16)26-19/h4-12,14H,3,13H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyLXAVRHWKXDJJMA-AWEZNQCLSA-N
XLogP3.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 9383386
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide
CID 2271697
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(2R)-butan-2-yl]acetamide
CID 40537954
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(2R)-butan-2-yl]acetamide
CID 7448271
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(2R)-butan-2-yl]acetamide
CID 7439020
N-[(2R)-butan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 7441929
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[(2S)-butan-2-yl]acetamide
CID 124561214
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide
CID 25494444
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(2R)-butan-2-yl]acetamide
CID 92517973
N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139202
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(1-phenylpropyl)acetamide
CID 43901870
N-[(2S)-butan-2-yl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 27235758

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide (CID 8537714) is 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide is CC[C@H](C)NC(=O)CN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide?
The InChIKey is LXAVRHWKXDJJMA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-3-14(2)20-18(23)13-22(27(24,25)15-9-5-4-6-10-15)19-21-16-11-7-8-12-17(16)26-19/h4-12,14H,3,13H2,1-2H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide?
2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide has a molecular weight of 403.53 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide is sourced from PubChem (CID 8537714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).