N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

C23H24N4O5S — CID 50778781

IUPACN-[4-(cyclopentylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)Nc3c(NC4CCCC4)c4ccccc4oc3=O)ccc21
InChIInChI=1S/C23H24N4O5S/c1-26-17-12-11-15(13-18(17)27(2)23(26)29)33(30,31)25-21-20(24-14-7-3-4-8-14)16-9-5-6-10-19(16)32-22(21)28/h5-6,9-14,24-25H,3-4,7-8H2,1-2H3
InChIKeyMZMKUJCBTDKXTK-UHFFFAOYSA-N
MW468.54 g/mol
LogP3.14
Rot. Bonds5

About N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 50778781) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(cyclopentylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID50778781
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC NameN-[4-(cyclopentylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)Nc3c(NC4CCCC4)c4ccccc4oc3=O)ccc21
InChIInChI=1S/C23H24N4O5S/c1-26-17-12-11-15(13-18(17)27(2)23(26)29)33(30,31)25-21-20(24-14-7-3-4-8-14)16-9-5-6-10-19(16)32-22(21)28/h5-6,9-14,24-25H,3-4,7-8H2,1-2H3
InChIKeyMZMKUJCBTDKXTK-UHFFFAOYSA-N
XLogP3.14
TPSA115.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3,4-difluorobenzenesulfonamide
CID 50778752
N-[4-(cyclohexylamino)-2-oxochromen-3-yl]benzenesulfonamide
CID 35397354
N-[4-(benzylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 50778782
N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide
CID 50778699
N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide
CID 50778823
N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886497
1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide
CID 119960641
1,3-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxobenzimidazole-5-sulfonamide
CID 20962052
1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea
CID 35396881
1-[(2S)-butan-2-yl]-3-[4-(cyclopentylamino)-2-oxochromen-3-yl]urea
CID 98274767
N-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 50778788
1-(2-chloro-4-methylphenyl)-3-[4-(cyclopentylamino)-2-oxochromen-3-yl]urea
CID 35397238

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 50778781) is N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3c(NC4CCCC4)c4ccccc4oc3=O)ccc21.
What is the InChIKey of N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is MZMKUJCBTDKXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-26-17-12-11-15(13-18(17)27(2)23(26)29)33(30,31)25-21-20(24-14-7-3-4-8-14)16-9-5-6-10-19(16)32-22(21)28/h5-6,9-14,24-25H,3-4,7-8H2,1-2H3.
What are the key properties of N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 468.54 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 50778781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).