N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C21H24N4O5S2 — CID 4964722

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C21H24N4O5S2/c1-14-3-5-16-17(11-14)24-21(23-16)31-13-20(26)22-18-12-15(4-6-19(18)29-2)32(27,28)25-7-9-30-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyPADYYAMOXCDNPV-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.63
Rot. Bonds7

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 4964722) has the molecular formula C21H24N4O5S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID4964722
Molecular FormulaC21H24N4O5S2
Molecular Weight476.58 g/mol
Exact Mass476.12
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C21H24N4O5S2/c1-14-3-5-16-17(11-14)24-21(23-16)31-13-20(26)22-18-12-15(4-6-19(18)29-2)32(27,28)25-7-9-30-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyPADYYAMOXCDNPV-UHFFFAOYSA-N
XLogP2.63
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 4878906
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
methyl 4-[(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)sulfanyl]-3-oxobutanoate
CID 2377955
2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 24649288
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 35942255
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 4645173
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2361261
2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 43853367
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 17324815
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4969524
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43893702

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 4964722) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2ccc(C)cc2[nH]1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is PADYYAMOXCDNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S2/c1-14-3-5-16-17(11-14)24-21(23-16)31-13-20(26)22-18-12-15(4-6-19(18)29-2)32(27,28)25-7-9-30-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 476.58 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4964722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).