(2S)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide

C20H25N3O4S — CID 155168812

IUPAC(2S)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-15-3-9-19(10-4-15)28(25,26)22-16(2)20(24)21-17-5-7-18(8-6-17)23-11-13-27-14-12-23/h3-10,16,22H,11-14H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyCKGNWVNVIJKKTC-INIZCTEOSA-N
MW403.50 g/mol
LogP2.14
Rot. Bonds6

About (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide

(2S)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 155168812) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID155168812
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name(2S)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-15-3-9-19(10-4-15)28(25,26)22-16(2)20(24)21-17-5-7-18(8-6-17)23-11-13-27-14-12-23/h3-10,16,22H,11-14H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyCKGNWVNVIJKKTC-INIZCTEOSA-N
XLogP2.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide (CID 155168812) is (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide is Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is CKGNWVNVIJKKTC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-15-3-9-19(10-4-15)28(25,26)22-16(2)20(24)21-17-5-7-18(8-6-17)23-11-13-27-14-12-23/h3-10,16,22H,11-14H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide?
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 403.50 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 155168812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).