2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C20H21ClN4O4S2 — CID 55772255

IUPAC2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2cc(Cl)ccc21
InChIInChI=1S/C20H21ClN4O4S2/c1-24-18-7-2-14(21)12-17(18)23-20(24)30-13-19(26)22-15-3-5-16(6-4-15)31(27,28)25-8-10-29-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,22,26)
InChIKeyWRNXAYRPIBXIAV-UHFFFAOYSA-N
MW481.00 g/mol
LogP2.98
Rot. Bonds6

About 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 55772255) has the molecular formula C20H21ClN4O4S2 and a molecular weight of 481.00 g/mol. Its IUPAC name is 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID55772255
Molecular FormulaC20H21ClN4O4S2
Molecular Weight481.00 g/mol
Exact Mass480.07
IUPAC Name2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2cc(Cl)ccc21
InChIInChI=1S/C20H21ClN4O4S2/c1-24-18-7-2-14(21)12-17(18)23-20(24)30-13-19(26)22-15-3-5-16(6-4-15)31(27,28)25-8-10-29-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,22,26)
InChIKeyWRNXAYRPIBXIAV-UHFFFAOYSA-N
XLogP2.98
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 29479537
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2336442
N-(3,5-dimethylphenyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 16510205
2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 5071804
N-(4-morpholin-4-ylsulfonylphenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518045
2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417047
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
CID 26913601
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 27929676
2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 23797203
2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 16510150
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 55772255) is 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is Cn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is WRNXAYRPIBXIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4S2/c1-24-18-7-2-14(21)12-17(18)23-20(24)30-13-19(26)22-15-3-5-16(6-4-15)31(27,28)25-8-10-29-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,22,26).
What are the key properties of 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 481.00 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 55772255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).