N-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide

C18H19N3O3S2 — CID 6620438

IUPACN-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
SMILESCc1nc2ccc(S(=O)(=O)NCC(=O)N(C)Cc3ccccc3)cc2s1
InChIInChI=1S/C18H19N3O3S2/c1-13-20-16-9-8-15(10-17(16)25-13)26(23,24)19-11-18(22)21(2)12-14-6-4-3-5-7-14/h3-10,19H,11-12H2,1-2H3
InChIKeyQXESYHYACBRVLH-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.54
Rot. Bonds6

About N-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide

N-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide (PubChem CID 6620438) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
PubChem CID6620438
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
SMILESCc1nc2ccc(S(=O)(=O)NCC(=O)N(C)Cc3ccccc3)cc2s1
InChIInChI=1S/C18H19N3O3S2/c1-13-20-16-9-8-15(10-17(16)25-13)26(23,24)19-11-18(22)21(2)12-14-6-4-3-5-7-14/h3-10,19H,11-12H2,1-2H3
InChIKeyQXESYHYACBRVLH-UHFFFAOYSA-N
XLogP2.54
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
CID 6624557
2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 23603157
2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 23603181
N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992432
N-butyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
CID 23603180
N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide
CID 58839440
N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760070
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide
CID 3235747
N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760071
N-benzyl-N-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 112992433
2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazole-6-sulfonamide
CID 3239139
2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclopropylacetamide
CID 20944874

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide (CID 6620438) is N-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide is Cc1nc2ccc(S(=O)(=O)NCC(=O)N(C)Cc3ccccc3)cc2s1.
What is the InChIKey of N-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide?
The InChIKey is QXESYHYACBRVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-13-20-16-9-8-15(10-17(16)25-13)26(23,24)19-11-18(22)21(2)12-14-6-4-3-5-7-14/h3-10,19H,11-12H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide?
N-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide has a molecular weight of 389.50 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide is sourced from PubChem (CID 6620438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).