2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide

C20H25N3O4S — CID 124581512

IUPAC2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H25N3O4S/c1-14(2)21-20(25)17-12-8-9-13-18(17)22-19(24)15(3)23(28(4,26)27)16-10-6-5-7-11-16/h5-15H,1-4H3,(H,21,25)(H,22,24)/t15-/m1/s1
InChIKeyAJPTZXCYMYRQRN-OAHLLOKOSA-N
MW403.50 g/mol
LogP2.62
Rot. Bonds7

About 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide

2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide (PubChem CID 124581512) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
PubChem CID124581512
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H25N3O4S/c1-14(2)21-20(25)17-12-8-9-13-18(17)22-19(24)15(3)23(28(4,26)27)16-10-6-5-7-11-16/h5-15H,1-4H3,(H,21,25)(H,22,24)/t15-/m1/s1
InChIKeyAJPTZXCYMYRQRN-OAHLLOKOSA-N
XLogP2.62
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
CID 2239247
2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide
CID 132670001
2-[[(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
CID 2231853
2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide
CID 2193981
(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126136461
N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913303
2-[[(2S)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]-N-(2-methylpropyl)benzamide
CID 982429
2-[2-(4-ethoxy-N-methylsulfonylanilino)propanoylamino]-N-(2-methylpropyl)benzamide
CID 4088711
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
N-cyclohexyl-2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide
CID 27280616
N-cyclohexyl-2-[2-(4-ethoxy-N-methylsulfonylanilino)propanoylamino]benzamide
CID 3334104
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide (CID 124581512) is 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is AJPTZXCYMYRQRN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14(2)21-20(25)17-12-8-9-13-18(17)22-19(24)15(3)23(28(4,26)27)16-10-6-5-7-11-16/h5-15H,1-4H3,(H,21,25)(H,22,24)/t15-/m1/s1.
What are the key properties of 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide?
2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 403.50 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 124581512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).