3-(diethylaminomethyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

C20H27N3O5S — CID 21310789

IUPAC3-(diethylaminomethyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCCN(CC)Cc1cccc(C(=O)NO)c1N(C)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H27N3O5S/c1-5-23(6-2)14-15-8-7-9-18(20(24)21-25)19(15)22(3)29(26,27)17-12-10-16(28-4)11-13-17/h7-13,25H,5-6,14H2,1-4H3,(H,21,24)
InChIKeyCNEKWCSJAXATCC-UHFFFAOYSA-N
MW421.52 g/mol
LogP2.48
Rot. Bonds9

About 3-(diethylaminomethyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

3-(diethylaminomethyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (PubChem CID 21310789) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.

Molecular Properties

Compound Name3-(diethylaminomethyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
PubChem CID21310789
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Name3-(diethylaminomethyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCCN(CC)Cc1cccc(C(=O)NO)c1N(C)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H27N3O5S/c1-5-23(6-2)14-15-8-7-9-18(20(24)21-25)19(15)22(3)29(26,27)17-12-10-16(28-4)11-13-17/h7-13,25H,5-6,14H2,1-4H3,(H,21,24)
InChIKeyCNEKWCSJAXATCC-UHFFFAOYSA-N
XLogP2.48
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.48
H-Bond Donors ≤ 52
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

1-benzoyl-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9869819
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-(4-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9959421
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-3-(4-methyl-piperazin-1-ylmethyl)-benzamide
CID 17866675
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-hydroxycarbamoylmethoxy-benzamide
CID 44316333
2-{[4-(4-Chloro-phenoxy)-benzenesulfonyl]-methyl-amino}-N-hydroxy-3-(4-methyl-piperazin-1-ylmethyl)-benzamide
CID 10076090
2-[3-(Diethylsulfamoyl)benzamido]-N-(4-methoxyphenyl)benzamide
CID 4651552
5-Bromo-N-hydroxy-2-{[4-(4-hydroxy-but-2-ynyloxy)-benzenesulfonyl]-methyl-amino}-3-methyl-benzamide
CID 9805304
5-Bromo-N-hydroxy-3-methyl-2-{methyl-[4-(3-phenyl-prop-2-ynyloxy)-benzenesulfonyl]-amino}-benzamide
CID 9806970
5-Bromo-N-hydroxy-3-methyl-2-[methyl-(4-pent-2-ynyloxy-benzenesulfonyl)-amino]-benzamide
CID 9826481
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-3-chloro-N-hydroxy-benzamide
CID 9846437
5-Bromo-2-[(4-hex-2-ynyloxy-benzenesulfonyl)-methyl-amino]-N-hydroxy-3-methyl-benzamide
CID 9848625
5-Bromo-N-hydroxy-3-methyl-2-[methyl-(4-prop-2-ynyloxy-benzenesulfonyl)-amino]-benzamide
CID 9868515

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The IUPAC name of 3-(diethylaminomethyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (CID 21310789) is 3-(diethylaminomethyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.
What is the SMILES notation for 3-(diethylaminomethyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The canonical SMILES for 3-(diethylaminomethyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is CCN(CC)Cc1cccc(C(=O)NO)c1N(C)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 3-(diethylaminomethyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The InChIKey is CNEKWCSJAXATCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-5-23(6-2)14-15-8-7-9-18(20(24)21-25)19(15)22(3)29(26,27)17-12-10-16(28-4)11-13-17/h7-13,25H,5-6,14H2,1-4H3,(H,21,24).
What are the key properties of 3-(diethylaminomethyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
3-(diethylaminomethyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide has a molecular weight of 421.52 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is sourced from PubChem (CID 21310789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).