(2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]butanamide

C27H31N3O6S — CID 87292071

IUPAC(2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]butanamide
SMILESCC(C)Oc1cc(S(=O)(=O)N[C@H](CCNC(=O)Cc2ccccc2)C(=O)NO)ccc1-c1ccccc1
InChIInChI=1S/C27H31N3O6S/c1-19(2)36-25-18-22(13-14-23(25)21-11-7-4-8-12-21)37(34,35)30-24(27(32)29-33)15-16-28-26(31)17-20-9-5-3-6-10-20/h3-14,18-19,24,30,33H,15-17H2,1-2H3,(H,28,31)(H,29,32)/t24-/m1/s1
InChIKeyQDEDMSXJEKPQOE-XMMPIXPASA-N
MW525.63 g/mol
LogP3.04
Rot. Bonds12

About (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]butanamide

(2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]butanamide (PubChem CID 87292071) has the molecular formula C27H31N3O6S and a molecular weight of 525.63 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]butanamide
PubChem CID87292071
Molecular FormulaC27H31N3O6S
Molecular Weight525.63 g/mol
Exact Mass525.19
IUPAC Name(2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]butanamide
SMILESCC(C)Oc1cc(S(=O)(=O)N[C@H](CCNC(=O)Cc2ccccc2)C(=O)NO)ccc1-c1ccccc1
InChIInChI=1S/C27H31N3O6S/c1-19(2)36-25-18-22(13-14-23(25)21-11-7-4-8-12-21)37(34,35)30-24(27(32)29-33)15-16-28-26(31)17-20-9-5-3-6-10-20/h3-14,18-19,24,30,33H,15-17H2,1-2H3,(H,28,31)(H,29,32)/t24-/m1/s1
InChIKeyQDEDMSXJEKPQOE-XMMPIXPASA-N
XLogP3.04
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.63
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

benzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate
CID 67159223
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 28538128
benzyl N-[(3R)-3-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-(hydroxyamino)-4-oxobutyl]carbamate
CID 45378252
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide
CID 10247434
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 43870750
N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 44609101
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)-3-phenylpropanamide
CID 30166400
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538195
(2R)-N-benzyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538141
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870729
3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide
CID 58835331
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]butanoic acid
CID 43470047

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]butanamide?
The IUPAC name of (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]butanamide (CID 87292071) is (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]butanamide is CC(C)Oc1cc(S(=O)(=O)N[C@H](CCNC(=O)Cc2ccccc2)C(=O)NO)ccc1-c1ccccc1.
What is the InChIKey of (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]butanamide?
The InChIKey is QDEDMSXJEKPQOE-XMMPIXPASA-N. The full InChI is InChI=1S/C27H31N3O6S/c1-19(2)36-25-18-22(13-14-23(25)21-11-7-4-8-12-21)37(34,35)30-24(27(32)29-33)15-16-28-26(31)17-20-9-5-3-6-10-20/h3-14,18-19,24,30,33H,15-17H2,1-2H3,(H,28,31)(H,29,32)/t24-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]butanamide?
(2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]butanamide has a molecular weight of 525.63 g/mol, XLogP of 3.04, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 87292071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).