6-(benzenesulfonamido)-3-ethyl-2-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide

C23H25N5O3S2 — CID 42162903

IUPAC6-(benzenesulfonamido)-3-ethyl-2-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide
SMILESCCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)N[C@@H](C)c3nc(C)cs3)c21
InChIInChI=1S/C23H25N5O3S2/c1-5-28-16(4)26-20-12-17(27-33(30,31)18-9-7-6-8-10-18)11-19(21(20)28)22(29)25-15(3)23-24-14(2)13-32-23/h6-13,15,27H,5H2,1-4H3,(H,25,29)/t15-/m0/s1
InChIKeyHSRJZWMQVOWSHR-HNNXBMFYSA-N
MW483.62 g/mol
LogP4.42
Rot. Bonds7

About 6-(benzenesulfonamido)-3-ethyl-2-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide

6-(benzenesulfonamido)-3-ethyl-2-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide (PubChem CID 42162903) has the molecular formula C23H25N5O3S2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 6-(benzenesulfonamido)-3-ethyl-2-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-(benzenesulfonamido)-3-ethyl-2-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide
PubChem CID42162903
Molecular FormulaC23H25N5O3S2
Molecular Weight483.62 g/mol
Exact Mass483.14
IUPAC Name6-(benzenesulfonamido)-3-ethyl-2-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide
SMILESCCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)N[C@@H](C)c3nc(C)cs3)c21
InChIInChI=1S/C23H25N5O3S2/c1-5-28-16(4)26-20-12-17(27-33(30,31)18-9-7-6-8-10-18)11-19(21(20)28)22(29)25-15(3)23-24-14(2)13-32-23/h6-13,15,27H,5H2,1-4H3,(H,25,29)/t15-/m0/s1
InChIKeyHSRJZWMQVOWSHR-HNNXBMFYSA-N
XLogP4.42
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-benzyl-2-methyl-6-(2-methylpropanoylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide
CID 45182826
6-(benzenesulfonamido)-N-benzyl-N,3-diethyl-2-methylbenzimidazole-4-carboxamide
CID 42436791
6-(benzenesulfonamido)-N,3-diethyl-2-methyl-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide
CID 42436617
3-(benzenesulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24686775
4-fluoro-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702418
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 90651513
4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103642131
1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide
CID 45179322
2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132674716
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 115646115
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonamido)-3-ethyl-2-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide?
The IUPAC name of 6-(benzenesulfonamido)-3-ethyl-2-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide (CID 42162903) is 6-(benzenesulfonamido)-3-ethyl-2-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide.
What is the SMILES notation for 6-(benzenesulfonamido)-3-ethyl-2-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide?
The canonical SMILES for 6-(benzenesulfonamido)-3-ethyl-2-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide is CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)N[C@@H](C)c3nc(C)cs3)c21.
What is the InChIKey of 6-(benzenesulfonamido)-3-ethyl-2-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide?
The InChIKey is HSRJZWMQVOWSHR-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25N5O3S2/c1-5-28-16(4)26-20-12-17(27-33(30,31)18-9-7-6-8-10-18)11-19(21(20)28)22(29)25-15(3)23-24-14(2)13-32-23/h6-13,15,27H,5H2,1-4H3,(H,25,29)/t15-/m0/s1.
What are the key properties of 6-(benzenesulfonamido)-3-ethyl-2-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide?
6-(benzenesulfonamido)-3-ethyl-2-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonamido)-3-ethyl-2-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 42162903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).