N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide

C21H26N4O5S — CID 50832756

IUPACN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C21H26N4O5S/c1-4-30-15-5-7-16(8-6-15)31(27,28)22-17-13-19-20(24(3)21(26)23(19)2)14-18(17)25-9-11-29-12-10-25/h5-8,13-14,22H,4,9-12H2,1-3H3
InChIKeyXDHYTVXKOIXWNQ-UHFFFAOYSA-N
MW446.53 g/mol
LogP1.91
Rot. Bonds6

About N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide

N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide (PubChem CID 50832756) has the molecular formula C21H26N4O5S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide
PubChem CID50832756
Molecular FormulaC21H26N4O5S
Molecular Weight446.53 g/mol
Exact Mass446.16
IUPAC NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C21H26N4O5S/c1-4-30-15-5-7-16(8-6-15)31(27,28)22-17-13-19-20(24(3)21(26)23(19)2)14-18(17)25-9-11-29-12-10-25/h5-8,13-14,22H,4,9-12H2,1-3H3
InChIKeyXDHYTVXKOIXWNQ-UHFFFAOYSA-N
XLogP1.91
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 15990108
3-[(4-ethoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767046
4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110359849
2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid
CID 46325373
2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 50832787
N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-4-ethoxybenzenesulfonamide
CID 50773356
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide
CID 2747437
ethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
CID 46390547
4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3667102
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide
CID 22433047
N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide
CID 50793045
4-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7594494

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide (CID 50832756) is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide?
The InChIKey is XDHYTVXKOIXWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S/c1-4-30-15-5-7-16(8-6-15)31(27,28)22-17-13-19-20(24(3)21(26)23(19)2)14-18(17)25-9-11-29-12-10-25/h5-8,13-14,22H,4,9-12H2,1-3H3.
What are the key properties of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide?
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide has a molecular weight of 446.53 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 50832756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).