N-(3-methylbutyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide

C16H23N3O3S2 — CID 20889174

IUPACN-(3-methylbutyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
SMILESCc1nc2ccc(S(=O)(=O)N(C)CC(=O)NCCC(C)C)cc2s1
InChIInChI=1S/C16H23N3O3S2/c1-11(2)7-8-17-16(20)10-19(4)24(21,22)13-5-6-14-15(9-13)23-12(3)18-14/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,20)
InChIKeyCBAQTFDCTVNVTN-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.39
Rot. Bonds7

About N-(3-methylbutyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide

N-(3-methylbutyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide (PubChem CID 20889174) has the molecular formula C16H23N3O3S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
PubChem CID20889174
Molecular FormulaC16H23N3O3S2
Molecular Weight369.51 g/mol
Exact Mass369.12
IUPAC NameN-(3-methylbutyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
SMILESCc1nc2ccc(S(=O)(=O)N(C)CC(=O)NCCC(C)C)cc2s1
InChIInChI=1S/C16H23N3O3S2/c1-11(2)7-8-17-16(20)10-19(4)24(21,22)13-5-6-14-15(9-13)23-12(3)18-14/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,20)
InChIKeyCBAQTFDCTVNVTN-UHFFFAOYSA-N
XLogP2.39
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-[2-(3-methylphenyl)ethyl]acetamide
CID 20889191
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
CID 20889157
N-(2,5-dimethylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
CID 20889170
N-(3-chloro-4-methylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
CID 20889188
N-(2,5-diethoxyphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
CID 6620236
2-methyl-1,3-benzothiazole-6-sulfonyl fluoride
CID 150804150
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N,2-dimethyl-1,3-benzothiazole-6-sulfonamide
CID 3245703
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-chloroacetamide
CID 3368893
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]acetamide
CID 3310020
N-butyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
CID 23603180
N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119495672
N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide
CID 58839440

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide (CID 20889174) is N-(3-methylbutyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide is Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)NCCC(C)C)cc2s1.
What is the InChIKey of N-(3-methylbutyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide?
The InChIKey is CBAQTFDCTVNVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S2/c1-11(2)7-8-17-16(20)10-19(4)24(21,22)13-5-6-14-15(9-13)23-12(3)18-14/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,20).
What are the key properties of N-(3-methylbutyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide?
N-(3-methylbutyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide has a molecular weight of 369.51 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 20889174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).