(2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide

C19H27N5O5S2 — CID 40931327

IUPAC(2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCCNC(=O)NC(=O)[C@@H](C)Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC
InChIInChI=1S/C19H27N5O5S2/c1-4-20-18(26)22-17(25)13(3)30-19-21-15-12-14(6-7-16(15)24(19)5-2)31(27,28)23-8-10-29-11-9-23/h6-7,12-13H,4-5,8-11H2,1-3H3,(H2,20,22,25,26)/t13-/m1/s1
InChIKeyMSNUTLRGHXRXFX-CYBMUJFWSA-N
MW469.59 g/mol
LogP1.40
Rot. Bonds7

About (2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide

(2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide (PubChem CID 40931327) has the molecular formula C19H27N5O5S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is (2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide
PubChem CID40931327
Molecular FormulaC19H27N5O5S2
Molecular Weight469.59 g/mol
Exact Mass469.15
IUPAC Name(2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCCNC(=O)NC(=O)[C@@H](C)Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC
InChIInChI=1S/C19H27N5O5S2/c1-4-20-18(26)22-17(25)13(3)30-19-21-15-12-14(6-7-16(15)24(19)5-2)31(27,28)23-8-10-29-11-9-23/h6-7,12-13H,4-5,8-11H2,1-3H3,(H2,20,22,25,26)/t13-/m1/s1
InChIKeyMSNUTLRGHXRXFX-CYBMUJFWSA-N
XLogP1.40
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-N-benzyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide
CID 41156539
(2S)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 41155896
(2S)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 41082934
2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 16510150
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 4816615
2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16510180
N-(3,5-dimethylphenyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 16510205
(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-methylpropanoate
CID 7765982
2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 16592981
4-(1-ethyl-2-prop-2-enylsulfanylbenzimidazol-5-yl)sulfonylmorpholine
CID 7506967
2-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]benzonitrile
CID 16565225
N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 46787462

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide (CID 40931327) is (2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide is CCNC(=O)NC(=O)[C@@H](C)Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC.
What is the InChIKey of (2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide?
The InChIKey is MSNUTLRGHXRXFX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H27N5O5S2/c1-4-20-18(26)22-17(25)13(3)30-19-21-15-12-14(6-7-16(15)24(19)5-2)31(27,28)23-8-10-29-11-9-23/h6-7,12-13H,4-5,8-11H2,1-3H3,(H2,20,22,25,26)/t13-/m1/s1.
What are the key properties of (2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide?
(2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide has a molecular weight of 469.59 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 40931327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).