(2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide

C21H26N4O5S — CID 52522864

IUPAC(2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide
SMILESCN(C)C(=O)[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C21H26N4O5S/c1-24(2)20(26)19(16-7-4-3-5-8-16)23-21(27)22-17-9-6-10-18(15-17)31(28,29)25-11-13-30-14-12-25/h3-10,15,19H,11-14H2,1-2H3,(H2,22,23,27)/t19-/m1/s1
InChIKeyXSRVFCHXGFDYOQ-LJQANCHMSA-N
MW446.53 g/mol
LogP1.66
Rot. Bonds6

About (2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide

(2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide (PubChem CID 52522864) has the molecular formula C21H26N4O5S and a molecular weight of 446.53 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide
PubChem CID52522864
Molecular FormulaC21H26N4O5S
Molecular Weight446.53 g/mol
Exact Mass446.16
IUPAC Name(2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide
SMILESCN(C)C(=O)[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C21H26N4O5S/c1-24(2)20(26)19(16-7-4-3-5-8-16)23-21(27)22-17-9-6-10-18(15-17)31(28,29)25-11-13-30-14-12-25/h3-10,15,19H,11-14H2,1-2H3,(H2,22,23,27)/t19-/m1/s1
InChIKeyXSRVFCHXGFDYOQ-LJQANCHMSA-N
XLogP1.66
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
CID 7758976
1-[(1R)-1-(4-ethylphenyl)ethyl]-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 51944299
1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea
CID 47081837
(2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 30729039
3-amino-N-(3-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide;hydrochloride
CID 119948702
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
(2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 8863476
N-[3-methyl-1-(3-morpholin-4-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 4852294
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
1-methyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680404

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide?
The IUPAC name of (2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide (CID 52522864) is (2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide is CN(C)C(=O)[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1.
What is the InChIKey of (2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide?
The InChIKey is XSRVFCHXGFDYOQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N4O5S/c1-24(2)20(26)19(16-7-4-3-5-8-16)23-21(27)22-17-9-6-10-18(15-17)31(28,29)25-11-13-30-14-12-25/h3-10,15,19H,11-14H2,1-2H3,(H2,22,23,27)/t19-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide?
(2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide has a molecular weight of 446.53 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide is sourced from PubChem (CID 52522864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).