(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide

C21H26ClN3O7S2 — CID 94861716

IUPAC(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl
InChIInChI=1S/C21H26ClN3O7S2/c1-15(24-33(27,28)18-7-8-20(31-2)19(22)13-18)21(26)23-14-16-3-5-17(6-4-16)34(29,30)25-9-11-32-12-10-25/h3-8,13,15,24H,9-12,14H2,1-2H3,(H,23,26)/t15-/m1/s1
InChIKeyOAHDFOJKUMQXCM-OAHLLOKOSA-N
MW532.04 g/mol
LogP1.35
Rot. Bonds9

About (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide

(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide (PubChem CID 94861716) has the molecular formula C21H26ClN3O7S2 and a molecular weight of 532.04 g/mol. Its IUPAC name is (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
PubChem CID94861716
Molecular FormulaC21H26ClN3O7S2
Molecular Weight532.04 g/mol
Exact Mass531.09
IUPAC Name(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl
InChIInChI=1S/C21H26ClN3O7S2/c1-15(24-33(27,28)18-7-8-20(31-2)19(22)13-18)21(26)23-14-16-3-5-17(6-4-16)34(29,30)25-9-11-32-12-10-25/h3-8,13,15,24H,9-12,14H2,1-2H3,(H,23,26)/t15-/m1/s1
InChIKeyOAHDFOJKUMQXCM-OAHLLOKOSA-N
XLogP1.35
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.04
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 94861719
(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylpropanamide
CID 94861803
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 94861777
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 7354928
2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 18148823
(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271587
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 27647424
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7477015
2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 119690147
3-chloro-4-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248763
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896765
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 94861770

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide (CID 94861716) is (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide is COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl.
What is the InChIKey of (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The InChIKey is OAHDFOJKUMQXCM-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26ClN3O7S2/c1-15(24-33(27,28)18-7-8-20(31-2)19(22)13-18)21(26)23-14-16-3-5-17(6-4-16)34(29,30)25-9-11-32-12-10-25/h3-8,13,15,24H,9-12,14H2,1-2H3,(H,23,26)/t15-/m1/s1.
What are the key properties of (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide has a molecular weight of 532.04 g/mol, XLogP of 1.35, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide is sourced from PubChem (CID 94861716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).