2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide

C20H19N5O4S3 — CID 43853367

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1
InChIInChI=1S/C20H19N5O4S3/c26-18(12-30-19-21-14-3-1-2-4-15(14)22-19)24-20-23-16-6-5-13(11-17(16)31-20)32(27,28)25-7-9-29-10-8-25/h1-6,11H,7-10,12H2,(H,21,22)(H,23,24,26)
InChIKeyNDAPYUHZAGZLGX-UHFFFAOYSA-N
MW489.60 g/mol
LogP2.92
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 43853367) has the molecular formula C20H19N5O4S3 and a molecular weight of 489.60 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID43853367
Molecular FormulaC20H19N5O4S3
Molecular Weight489.60 g/mol
Exact Mass489.06
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1
InChIInChI=1S/C20H19N5O4S3/c26-18(12-30-19-21-14-3-1-2-4-15(14)22-19)24-20-23-16-6-5-13(11-17(16)31-20)32(27,28)25-7-9-29-10-8-25/h1-6,11H,7-10,12H2,(H,21,22)(H,23,24,26)
InChIKeyNDAPYUHZAGZLGX-UHFFFAOYSA-N
XLogP2.92
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 43853372
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4809633
2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 4057276
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 4219162
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 4964722
2-benzylsulfanyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 4569770
methyl 4-[(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)sulfanyl]-3-oxobutanoate
CID 2377955
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 4107859
N-(1,3-benzothiazol-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 1414676
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 4163586
N-(1H-benzimidazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2583657
methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-1,3-benzothiazole-5-carboxylate
CID 11964478

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide (CID 43853367) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide is O=C(CSc1nc2ccccc2[nH]1)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is NDAPYUHZAGZLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S3/c26-18(12-30-19-21-14-3-1-2-4-15(14)22-19)24-20-23-16-6-5-13(11-17(16)31-20)32(27,28)25-7-9-29-10-8-25/h1-6,11H,7-10,12H2,(H,21,22)(H,23,24,26).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 489.60 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 43853367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).