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

C21H26N4O4S — CID 15990064

IUPACN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)c(C)c1
InChIInChI=1S/C21H26N4O4S/c1-14-5-6-20(15(2)11-14)30(27,28)22-16-12-18-19(24(4)21(26)23(18)3)13-17(16)25-7-9-29-10-8-25/h5-6,11-13,22H,7-10H2,1-4H3
InChIKeyAKYIDWYRBKQFJU-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.13
Rot. Bonds4

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

N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide (PubChem CID 15990064) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide
PubChem CID15990064
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)c(C)c1
InChIInChI=1S/C21H26N4O4S/c1-14-5-6-20(15(2)11-14)30(27,28)22-16-12-18-19(24(4)21(26)23(18)3)13-17(16)25-7-9-29-10-8-25/h5-6,11-13,22H,7-10H2,1-4H3
InChIKeyAKYIDWYRBKQFJU-UHFFFAOYSA-N
XLogP2.13
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide (CID 15990064) is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)c(C)c1.
What is the InChIKey of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is AKYIDWYRBKQFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-14-5-6-20(15(2)11-14)30(27,28)22-16-12-18-19(24(4)21(26)23(18)3)13-17(16)25-7-9-29-10-8-25/h5-6,11-13,22H,7-10H2,1-4H3.
What are the key properties of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide?
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 430.53 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 15990064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).