N-[(2S)-butan-2-yl]-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]acetamide

C14H19N3O3S3 — CID 98370985

IUPACN-[(2S)-butan-2-yl]-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
SMILESCC[C@H](C)NC(=O)CSc1nc2ccc(NS(C)(=O)=O)cc2s1
InChIInChI=1S/C14H19N3O3S3/c1-4-9(2)15-13(18)8-21-14-16-11-6-5-10(7-12(11)22-14)17-23(3,19)20/h5-7,9,17H,4,8H2,1-3H3,(H,15,18)/t9-/m0/s1
InChIKeyCVCKOZRVTAFMDT-VIFPVBQESA-N
MW373.53 g/mol
LogP2.67
Rot. Bonds7

About N-[(2S)-butan-2-yl]-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]acetamide

N-[(2S)-butan-2-yl]-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]acetamide (PubChem CID 98370985) has the molecular formula C14H19N3O3S3 and a molecular weight of 373.53 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
PubChem CID98370985
Molecular FormulaC14H19N3O3S3
Molecular Weight373.53 g/mol
Exact Mass373.06
IUPAC NameN-[(2S)-butan-2-yl]-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
SMILESCC[C@H](C)NC(=O)CSc1nc2ccc(NS(C)(=O)=O)cc2s1
InChIInChI=1S/C14H19N3O3S3/c1-4-9(2)15-13(18)8-21-14-16-11-6-5-10(7-12(11)22-14)17-23(3,19)20/h5-7,9,17H,4,8H2,1-3H3,(H,15,18)/t9-/m0/s1
InChIKeyCVCKOZRVTAFMDT-VIFPVBQESA-N
XLogP2.67
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-butan-2-yl]-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-butan-2-yl-2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
CID 71843191
2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 71843206
N-butan-2-yl-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 3940496
2-[[6-(benzenesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]-N-benzhydrylacetamide
CID 25038920
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-pentan-3-ylacetamide
CID 61489831
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 40617475
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 43853404
N-[2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide
CID 1135122
N-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]ethanesulfonamide
CID 71843150
N-[(2,5-dimethylphenyl)methyl]-2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
CID 71830327
N-[(2S)-1-aminopropan-2-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride
CID 120506197
N-[2-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide
CID 1018290

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]acetamide (CID 98370985) is N-[(2S)-butan-2-yl]-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]acetamide is CC[C@H](C)NC(=O)CSc1nc2ccc(NS(C)(=O)=O)cc2s1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]acetamide?
The InChIKey is CVCKOZRVTAFMDT-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19N3O3S3/c1-4-9(2)15-13(18)8-21-14-16-11-6-5-10(7-12(11)22-14)17-23(3,19)20/h5-7,9,17H,4,8H2,1-3H3,(H,15,18)/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]acetamide?
N-[(2S)-butan-2-yl]-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]acetamide has a molecular weight of 373.53 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 98370985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).