(2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-2-[4-(3-oxomorpholin-4-yl)phenyl]butanamide

C22H25ClN4O6S — CID 67012614

IUPAC(2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-2-[4-(3-oxomorpholin-4-yl)phenyl]butanamide
SMILESCS(=O)(=O)CC[C@](NC(=O)Nc1ccc(Cl)cc1)(C(N)=O)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C22H25ClN4O6S/c1-34(31,32)13-10-22(20(24)29,26-21(30)25-17-6-4-16(23)5-7-17)15-2-8-18(9-3-15)27-11-12-33-14-19(27)28/h2-9H,10-14H2,1H3,(H2,24,29)(H2,25,26,30)/t22-/m1/s1
InChIKeyZLSFEHQAJIPCOP-JOCHJYFZSA-N
MW508.98 g/mol
LogP1.64
Rot. Bonds8

About (2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-2-[4-(3-oxomorpholin-4-yl)phenyl]butanamide

(2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-2-[4-(3-oxomorpholin-4-yl)phenyl]butanamide (PubChem CID 67012614) has the molecular formula C22H25ClN4O6S and a molecular weight of 508.98 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-2-[4-(3-oxomorpholin-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-2-[4-(3-oxomorpholin-4-yl)phenyl]butanamide
PubChem CID67012614
Molecular FormulaC22H25ClN4O6S
Molecular Weight508.98 g/mol
Exact Mass508.12
IUPAC Name(2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-2-[4-(3-oxomorpholin-4-yl)phenyl]butanamide
SMILESCS(=O)(=O)CC[C@](NC(=O)Nc1ccc(Cl)cc1)(C(N)=O)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C22H25ClN4O6S/c1-34(31,32)13-10-22(20(24)29,26-21(30)25-17-6-4-16(23)5-7-17)15-2-8-18(9-3-15)27-11-12-33-14-19(27)28/h2-9H,10-14H2,1H3,(H2,24,29)(H2,25,26,30)/t22-/m1/s1
InChIKeyZLSFEHQAJIPCOP-JOCHJYFZSA-N
XLogP1.64
TPSA147.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.98
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-2-[4-(3-oxomorpholin-4-yl)phenyl]butanamide with MolForge

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Related Compounds

4-(amino-methyl-oxo-λ6-sulfanylidene)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]butanamide
CID 90846289
1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110363575
1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110363597
N-[4-[[4-(3-oxomorpholin-4-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 110363646
1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110617707
2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide
CID 77168320
2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide
CID 69060079
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282
methyl-methylidene-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyloxymethyl]phosphanium
CID 123669278
[1-[(4-chlorophenyl)carbamoyl]-5-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-3-yl] 2-methylpropanoate
CID 66593237
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-3-(3-tritylimidazol-4-yl)propanamide
CID 174777568

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-2-[4-(3-oxomorpholin-4-yl)phenyl]butanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-2-[4-(3-oxomorpholin-4-yl)phenyl]butanamide (CID 67012614) is (2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-2-[4-(3-oxomorpholin-4-yl)phenyl]butanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-2-[4-(3-oxomorpholin-4-yl)phenyl]butanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-2-[4-(3-oxomorpholin-4-yl)phenyl]butanamide is CS(=O)(=O)CC[C@](NC(=O)Nc1ccc(Cl)cc1)(C(N)=O)c1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-2-[4-(3-oxomorpholin-4-yl)phenyl]butanamide?
The InChIKey is ZLSFEHQAJIPCOP-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25ClN4O6S/c1-34(31,32)13-10-22(20(24)29,26-21(30)25-17-6-4-16(23)5-7-17)15-2-8-18(9-3-15)27-11-12-33-14-19(27)28/h2-9H,10-14H2,1H3,(H2,24,29)(H2,25,26,30)/t22-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-2-[4-(3-oxomorpholin-4-yl)phenyl]butanamide?
(2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-2-[4-(3-oxomorpholin-4-yl)phenyl]butanamide has a molecular weight of 508.98 g/mol, XLogP of 1.64, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfonyl-2-[4-(3-oxomorpholin-4-yl)phenyl]butanamide is sourced from PubChem (CID 67012614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).