N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide

C18H19N3O3S — CID 18116353

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O3S/c1-11-8-9-13(25(3,23)24)10-14(11)18(22)19-12(2)17-20-15-6-4-5-7-16(15)21-17/h4-10,12H,1-3H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyUJYFDBPAWMWBHG-LBPRGKRZSA-N
MW357.44 g/mol
LogP2.77
Rot. Bonds4

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide (PubChem CID 18116353) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
PubChem CID18116353
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O3S/c1-11-8-9-13(25(3,23)24)10-14(11)18(22)19-12(2)17-20-15-6-4-5-7-16(15)21-17/h4-10,12H,1-3H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyUJYFDBPAWMWBHG-LBPRGKRZSA-N
XLogP2.77
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide
CID 60620350
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide
CID 76879730
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 60620375
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
CID 120643289
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 51579914
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 39964775
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-chlorobenzamide
CID 78806072
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide
CID 60509453

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide (CID 18116353) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is UJYFDBPAWMWBHG-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11-8-9-13(25(3,23)24)10-14(11)18(22)19-12(2)17-20-15-6-4-5-7-16(15)21-17/h4-10,12H,1-3H3,(H,19,22)(H,20,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 357.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 18116353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).