N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide

C21H28N2O5S — CID 108571354

IUPACN-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H28N2O5S/c1-21(2,3)16-6-8-19(9-7-16)29(25,26)23-11-10-22-20(24)15-12-17(27-4)14-18(13-15)28-5/h6-9,12-14,23H,10-11H2,1-5H3,(H,22,24)
InChIKeyKPKRFCNTVZYHPQ-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.71
Rot. Bonds8

About N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide

N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide (PubChem CID 108571354) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide
PubChem CID108571354
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H28N2O5S/c1-21(2,3)16-6-8-19(9-7-16)29(25,26)23-11-10-22-20(24)15-12-17(27-4)14-18(13-15)28-5/h6-9,12-14,23H,10-11H2,1-5H3,(H,22,24)
InChIKeyKPKRFCNTVZYHPQ-UHFFFAOYSA-N
XLogP2.71
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide
CID 108571361
[3-[2-[(4-tert-butylphenyl)sulfonylamino]ethylcarbamoyl]phenyl] acetate
CID 108570455
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 108573220
N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 108571276
N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 33430214
N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 108539326
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1179288
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 30757530
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide
CID 27302594

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide (CID 108571354) is N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide?
The InChIKey is KPKRFCNTVZYHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-21(2,3)16-6-8-19(9-7-16)29(25,26)23-11-10-22-20(24)15-12-17(27-4)14-18(13-15)28-5/h6-9,12-14,23H,10-11H2,1-5H3,(H,22,24).
What are the key properties of N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide?
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide has a molecular weight of 420.53 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 108571354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).