(2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide

C14H18ClN3O3S — CID 95047950

IUPAC(2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)[C@H](C)C(=O)Nc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C14H18ClN3O3S/c1-4-7-22(20,21)9(2)13(19)17-14-16-11-8-10(15)5-6-12(11)18(14)3/h5-6,8-9H,4,7H2,1-3H3,(H,16,17,19)/t9-/m1/s1
InChIKeyQLAXXRLLFOKFJR-SECBINFHSA-N
MW343.84 g/mol
LogP2.38
Rot. Bonds5

About (2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide

(2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide (PubChem CID 95047950) has the molecular formula C14H18ClN3O3S and a molecular weight of 343.84 g/mol. Its IUPAC name is (2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide
PubChem CID95047950
Molecular FormulaC14H18ClN3O3S
Molecular Weight343.84 g/mol
Exact Mass343.08
IUPAC Name(2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)[C@H](C)C(=O)Nc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C14H18ClN3O3S/c1-4-7-22(20,21)9(2)13(19)17-14-16-11-8-10(15)5-6-12(11)18(14)3/h5-6,8-9H,4,7H2,1-3H3,(H,16,17,19)/t9-/m1/s1
InChIKeyQLAXXRLLFOKFJR-SECBINFHSA-N
XLogP2.38
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide?
The IUPAC name of (2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide (CID 95047950) is (2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide?
The canonical SMILES for (2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide is CCCS(=O)(=O)[C@H](C)C(=O)Nc1nc2cc(Cl)ccc2n1C.
What is the InChIKey of (2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide?
The InChIKey is QLAXXRLLFOKFJR-SECBINFHSA-N. The full InChI is InChI=1S/C14H18ClN3O3S/c1-4-7-22(20,21)9(2)13(19)17-14-16-11-8-10(15)5-6-12(11)18(14)3/h5-6,8-9H,4,7H2,1-3H3,(H,16,17,19)/t9-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide?
(2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide has a molecular weight of 343.84 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide is sourced from PubChem (CID 95047950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).