N-(3-methoxyphenyl)-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzimidazol-1-yl]acetamide

C22H24N4O4S — CID 650532

IUPACN-(3-methoxyphenyl)-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzimidazol-1-yl]acetamide
SMILESCOc1cccc(NC(=O)Cn2c(SCC(=O)N3CCOCC3)nc3ccccc32)c1
InChIInChI=1S/C22H24N4O4S/c1-29-17-6-4-5-16(13-17)23-20(27)14-26-19-8-3-2-7-18(19)24-22(26)31-15-21(28)25-9-11-30-12-10-25/h2-8,13H,9-12,14-15H2,1H3,(H,23,27)
InChIKeyQPSUKLHGDBMHFS-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.63
Rot. Bonds7

About N-(3-methoxyphenyl)-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzimidazol-1-yl]acetamide

N-(3-methoxyphenyl)-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzimidazol-1-yl]acetamide (PubChem CID 650532) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzimidazol-1-yl]acetamide
PubChem CID650532
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-(3-methoxyphenyl)-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzimidazol-1-yl]acetamide
SMILESCOc1cccc(NC(=O)Cn2c(SCC(=O)N3CCOCC3)nc3ccccc32)c1
InChIInChI=1S/C22H24N4O4S/c1-29-17-6-4-5-16(13-17)23-20(27)14-26-19-8-3-2-7-18(19)24-22(26)31-15-21(28)25-9-11-30-12-10-25/h2-8,13H,9-12,14-15H2,1H3,(H,23,27)
InChIKeyQPSUKLHGDBMHFS-UHFFFAOYSA-N
XLogP2.63
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzimidazol-1-yl]acetamide (CID 650532) is N-(3-methoxyphenyl)-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzimidazol-1-yl]acetamide is COc1cccc(NC(=O)Cn2c(SCC(=O)N3CCOCC3)nc3ccccc32)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzimidazol-1-yl]acetamide?
The InChIKey is QPSUKLHGDBMHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-29-17-6-4-5-16(13-17)23-20(27)14-26-19-8-3-2-7-18(19)24-22(26)31-15-21(28)25-9-11-30-12-10-25/h2-8,13H,9-12,14-15H2,1H3,(H,23,27).
What are the key properties of N-(3-methoxyphenyl)-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzimidazol-1-yl]acetamide?
N-(3-methoxyphenyl)-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzimidazol-1-yl]acetamide has a molecular weight of 440.53 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzimidazol-1-yl]acetamide is sourced from PubChem (CID 650532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).