(2R)-2-(carbamoylamino)-N-(2,4-dimorpholin-4-ylphenyl)-4-methylsulfanylbutanamide

C20H31N5O4S — CID 40974690

IUPAC(2R)-2-(carbamoylamino)-N-(2,4-dimorpholin-4-ylphenyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C20H31N5O4S/c1-30-13-4-17(23-20(21)27)19(26)22-16-3-2-15(24-5-9-28-10-6-24)14-18(16)25-7-11-29-12-8-25/h2-3,14,17H,4-13H2,1H3,(H,22,26)(H3,21,23,27)/t17-/m1/s1
InChIKeyCBVNKAMBPZPVDW-QGZVFWFLSA-N
MW437.57 g/mol
LogP1.09
Rot. Bonds8

About (2R)-2-(carbamoylamino)-N-(2,4-dimorpholin-4-ylphenyl)-4-methylsulfanylbutanamide

(2R)-2-(carbamoylamino)-N-(2,4-dimorpholin-4-ylphenyl)-4-methylsulfanylbutanamide (PubChem CID 40974690) has the molecular formula C20H31N5O4S and a molecular weight of 437.57 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-(2,4-dimorpholin-4-ylphenyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-(2,4-dimorpholin-4-ylphenyl)-4-methylsulfanylbutanamide
PubChem CID40974690
Molecular FormulaC20H31N5O4S
Molecular Weight437.57 g/mol
Exact Mass437.21
IUPAC Name(2R)-2-(carbamoylamino)-N-(2,4-dimorpholin-4-ylphenyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C20H31N5O4S/c1-30-13-4-17(23-20(21)27)19(26)22-16-3-2-15(24-5-9-28-10-6-24)14-18(16)25-7-11-29-12-8-25/h2-3,14,17H,4-13H2,1H3,(H,22,26)(H3,21,23,27)/t17-/m1/s1
InChIKeyCBVNKAMBPZPVDW-QGZVFWFLSA-N
XLogP1.09
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R)-2-(carbamoylamino)-N-(2,4-dimorpholin-4-ylphenyl)-4-methylsulfanylbutanamide with MolForge

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Related Compounds

3-methyl-N-[1-(2-methyl-4-morpholin-4-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55620802
(2S)-2-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide;trihydrochloride
CID 119900951
4-tert-butyl-N-[(2S)-4-methylsulfanyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]benzamide
CID 25353454
2-(carbamoylamino)-N-(2-chloro-4-methylphenyl)-4-methylsulfanylbutanamide
CID 51072518
4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide
CID 119900958
2-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-4-methylsulfanylbutanamide
CID 47097093
(2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide
CID 41307253
(2R,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide
CID 41307264
N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide
CID 41080718
(2S)-2-(carbamoylamino)-N-(4-methylphenyl)-4-methylsulfanylbutanamide
CID 2455996
(2R)-2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide
CID 25337305
(2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide
CID 9416153

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-(2,4-dimorpholin-4-ylphenyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-(2,4-dimorpholin-4-ylphenyl)-4-methylsulfanylbutanamide (CID 40974690) is (2R)-2-(carbamoylamino)-N-(2,4-dimorpholin-4-ylphenyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-(2,4-dimorpholin-4-ylphenyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-(2,4-dimorpholin-4-ylphenyl)-4-methylsulfanylbutanamide is CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-(2,4-dimorpholin-4-ylphenyl)-4-methylsulfanylbutanamide?
The InChIKey is CBVNKAMBPZPVDW-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N5O4S/c1-30-13-4-17(23-20(21)27)19(26)22-16-3-2-15(24-5-9-28-10-6-24)14-18(16)25-7-11-29-12-8-25/h2-3,14,17H,4-13H2,1H3,(H,22,26)(H3,21,23,27)/t17-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-(2,4-dimorpholin-4-ylphenyl)-4-methylsulfanylbutanamide?
(2R)-2-(carbamoylamino)-N-(2,4-dimorpholin-4-ylphenyl)-4-methylsulfanylbutanamide has a molecular weight of 437.57 g/mol, XLogP of 1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-(2,4-dimorpholin-4-ylphenyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 40974690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).