(2R,4R)-1-(3,4-dichlorophenyl)sulfonyl-4-[(2,4-dimethoxybenzoyl)amino]-N-hydroxypyrrolidine-2-carboxamide

C20H21Cl2N3O7S — CID 70697478

IUPAC(2R,4R)-1-(3,4-dichlorophenyl)sulfonyl-4-[(2,4-dimethoxybenzoyl)amino]-N-hydroxypyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)NO)N(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)c(OC)c1
InChIInChI=1S/C20H21Cl2N3O7S/c1-31-12-3-5-14(18(8-12)32-2)19(26)23-11-7-17(20(27)24-28)25(10-11)33(29,30)13-4-6-15(21)16(22)9-13/h3-6,8-9,11,17,28H,7,10H2,1-2H3,(H,23,26)(H,24,27)/t11-,17-/m1/s1
InChIKeyUCTXPISEYKNHPX-PIGZYNQJSA-N
MW518.38 g/mol
LogP2.08
Rot. Bonds7

About (2R,4R)-1-(3,4-dichlorophenyl)sulfonyl-4-[(2,4-dimethoxybenzoyl)amino]-N-hydroxypyrrolidine-2-carboxamide

(2R,4R)-1-(3,4-dichlorophenyl)sulfonyl-4-[(2,4-dimethoxybenzoyl)amino]-N-hydroxypyrrolidine-2-carboxamide (PubChem CID 70697478) has the molecular formula C20H21Cl2N3O7S and a molecular weight of 518.38 g/mol. Its IUPAC name is (2R,4R)-1-(3,4-dichlorophenyl)sulfonyl-4-[(2,4-dimethoxybenzoyl)amino]-N-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-1-(3,4-dichlorophenyl)sulfonyl-4-[(2,4-dimethoxybenzoyl)amino]-N-hydroxypyrrolidine-2-carboxamide
PubChem CID70697478
Molecular FormulaC20H21Cl2N3O7S
Molecular Weight518.38 g/mol
Exact Mass517.05
IUPAC Name(2R,4R)-1-(3,4-dichlorophenyl)sulfonyl-4-[(2,4-dimethoxybenzoyl)amino]-N-hydroxypyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)NO)N(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)c(OC)c1
InChIInChI=1S/C20H21Cl2N3O7S/c1-31-12-3-5-14(18(8-12)32-2)19(26)23-11-7-17(20(27)24-28)25(10-11)33(29,30)13-4-6-15(21)16(22)9-13/h3-6,8-9,11,17,28H,7,10H2,1-2H3,(H,23,26)(H,24,27)/t11-,17-/m1/s1
InChIKeyUCTXPISEYKNHPX-PIGZYNQJSA-N
XLogP2.08
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.38
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
(2S,4R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841637
methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate
CID 10782506
(2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]pyrrolidine-2-carboxamide
CID 10837557
2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571741
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide
CID 25325208
methyl (2S,4R)-4-[(2,4-dimethoxybenzoyl)amino]-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylate
CID 45198298
2-[4-(3,4-dichlorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 52921013
N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide
CID 11279720
methyl (2S,4R)-4-[(2,4-dimethoxybenzoyl)amino]-1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate
CID 45488713
(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide
CID 10549612
N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide
CID 119104693

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(3,4-dichlorophenyl)sulfonyl-4-[(2,4-dimethoxybenzoyl)amino]-N-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-1-(3,4-dichlorophenyl)sulfonyl-4-[(2,4-dimethoxybenzoyl)amino]-N-hydroxypyrrolidine-2-carboxamide (CID 70697478) is (2R,4R)-1-(3,4-dichlorophenyl)sulfonyl-4-[(2,4-dimethoxybenzoyl)amino]-N-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-1-(3,4-dichlorophenyl)sulfonyl-4-[(2,4-dimethoxybenzoyl)amino]-N-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-1-(3,4-dichlorophenyl)sulfonyl-4-[(2,4-dimethoxybenzoyl)amino]-N-hydroxypyrrolidine-2-carboxamide is COc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)NO)N(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)c(OC)c1.
What is the InChIKey of (2R,4R)-1-(3,4-dichlorophenyl)sulfonyl-4-[(2,4-dimethoxybenzoyl)amino]-N-hydroxypyrrolidine-2-carboxamide?
The InChIKey is UCTXPISEYKNHPX-PIGZYNQJSA-N. The full InChI is InChI=1S/C20H21Cl2N3O7S/c1-31-12-3-5-14(18(8-12)32-2)19(26)23-11-7-17(20(27)24-28)25(10-11)33(29,30)13-4-6-15(21)16(22)9-13/h3-6,8-9,11,17,28H,7,10H2,1-2H3,(H,23,26)(H,24,27)/t11-,17-/m1/s1.
What are the key properties of (2R,4R)-1-(3,4-dichlorophenyl)sulfonyl-4-[(2,4-dimethoxybenzoyl)amino]-N-hydroxypyrrolidine-2-carboxamide?
(2R,4R)-1-(3,4-dichlorophenyl)sulfonyl-4-[(2,4-dimethoxybenzoyl)amino]-N-hydroxypyrrolidine-2-carboxamide has a molecular weight of 518.38 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(3,4-dichlorophenyl)sulfonyl-4-[(2,4-dimethoxybenzoyl)amino]-N-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 70697478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).