5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide

C21H29N3O5S — CID 56512421

IUPAC5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1
InChIInChI=1S/C21H29N3O5S/c1-7-24(14-15-8-10-16(11-9-15)19(25)23(5)6)20(26)17-12-13-18(29-17)30(27,28)22-21(2,3)4/h8-13,22H,7,14H2,1-6H3
InChIKeyNGIKXJKCRQNHEH-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.72
Rot. Bonds7

About 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide

5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide (PubChem CID 56512421) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide
PubChem CID56512421
Molecular FormulaC21H29N3O5S
Molecular Weight435.55 g/mol
Exact Mass435.18
IUPAC Name5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1
InChIInChI=1S/C21H29N3O5S/c1-7-24(14-15-8-10-16(11-9-15)19(25)23(5)6)20(26)17-12-13-18(29-17)30(27,28)22-21(2,3)4/h8-13,22H,7,14H2,1-6H3
InChIKeyNGIKXJKCRQNHEH-UHFFFAOYSA-N
XLogP2.72
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate
CID 55992465
4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512067
5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide
CID 55919608
4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512454
4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511941
5-(tert-butylsulfamoyl)-N-methyl-N-(4-phenoxyphenyl)furan-2-carboxamide
CID 47085584
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 56511666
5-(tert-butylsulfamoyl)-N-(2,2-diethyl-4-hydroxybutyl)furan-2-carboxamide
CID 71917019
5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 106328341
5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide
CID 55666487
5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 55975340
4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
CID 39860972

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide (CID 56512421) is 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide?
The InChIKey is NGIKXJKCRQNHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S/c1-7-24(14-15-8-10-16(11-9-15)19(25)23(5)6)20(26)17-12-13-18(29-17)30(27,28)22-21(2,3)4/h8-13,22H,7,14H2,1-6H3.
What are the key properties of 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide?
5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide is sourced from PubChem (CID 56512421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).