2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(3-methylbutyl)butanamide

C16H24N4O3S2 — CID 20862194

IUPAC2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(3-methylbutyl)butanamide
SMILESCC(C)CCNC(=O)C(NS(=O)(=O)c1cccc2nsnc12)C(C)C
InChIInChI=1S/C16H24N4O3S2/c1-10(2)8-9-17-16(21)14(11(3)4)20-25(22,23)13-7-5-6-12-15(13)19-24-18-12/h5-7,10-11,14,20H,8-9H2,1-4H3,(H,17,21)
InChIKeyPUVQIIPZPVNYHQ-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.16
Rot. Bonds8

About 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(3-methylbutyl)butanamide

2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(3-methylbutyl)butanamide (PubChem CID 20862194) has the molecular formula C16H24N4O3S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound Name2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(3-methylbutyl)butanamide
PubChem CID20862194
Molecular FormulaC16H24N4O3S2
Molecular Weight384.53 g/mol
Exact Mass384.13
IUPAC Name2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(3-methylbutyl)butanamide
SMILESCC(C)CCNC(=O)C(NS(=O)(=O)c1cccc2nsnc12)C(C)C
InChIInChI=1S/C16H24N4O3S2/c1-10(2)8-9-17-16(21)14(11(3)4)20-25(22,23)13-7-5-6-12-15(13)19-24-18-12/h5-7,10-11,14,20H,8-9H2,1-4H3,(H,17,21)
InChIKeyPUVQIIPZPVNYHQ-UHFFFAOYSA-N
XLogP2.16
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 20862186
(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 16593733
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(2-ethoxyphenyl)-3-methylbutanamide
CID 20862203
(2S,3S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylpentanoate
CID 6924494
N-(1,3-benzodioxol-5-yl)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanamide
CID 75466439
N-[(2R)-1-hydroxypropan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 79027696
(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3,3-dimethylbutanoate
CID 2342094
(4-cyanophenyl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanoate
CID 25046089
N-[3-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)butan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 42909980
methyl 4-[[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanoyl]-methylamino]methyl]benzoate
CID 42955866
(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)hexanoic acid
CID 104934694
N-(3-chlorobutyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 65033045

Frequently Asked Questions

What is the IUPAC name of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(3-methylbutyl)butanamide?
The IUPAC name of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(3-methylbutyl)butanamide (CID 20862194) is 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(3-methylbutyl)butanamide.
What is the SMILES notation for 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(3-methylbutyl)butanamide?
The canonical SMILES for 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(3-methylbutyl)butanamide is CC(C)CCNC(=O)C(NS(=O)(=O)c1cccc2nsnc12)C(C)C.
What is the InChIKey of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(3-methylbutyl)butanamide?
The InChIKey is PUVQIIPZPVNYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S2/c1-10(2)8-9-17-16(21)14(11(3)4)20-25(22,23)13-7-5-6-12-15(13)19-24-18-12/h5-7,10-11,14,20H,8-9H2,1-4H3,(H,17,21).
What are the key properties of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(3-methylbutyl)butanamide?
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(3-methylbutyl)butanamide has a molecular weight of 384.53 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 20862194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).