1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide

C21H26N2O3S — CID 32566657

IUPAC1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccc(C2(C(=O)NCc3cccc(S(N)(=O)=O)c3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-20(2,3)16-7-9-17(10-8-16)21(11-12-21)19(24)23-14-15-5-4-6-18(13-15)27(22,25)26/h4-10,13H,11-12,14H2,1-3H3,(H,23,24)(H2,22,25,26)
InChIKeyHCJHCHJSSUHOIL-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.98
Rot. Bonds5

About 1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide

1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 32566657) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID32566657
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccc(C2(C(=O)NCc3cccc(S(N)(=O)=O)c3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-20(2,3)16-7-9-17(10-8-16)21(11-12-21)19(24)23-14-15-5-4-6-18(13-15)27(22,25)26/h4-10,13H,11-12,14H2,1-3H3,(H,23,24)(H2,22,25,26)
InChIKeyHCJHCHJSSUHOIL-UHFFFAOYSA-N
XLogP2.98
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020
3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 63139949
3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 63680751
N-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
CID 57401678
1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide
CID 115913331
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994
1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 113198226
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride
CID 119731398
1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea
CID 51970987
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
1-(4-tert-butylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 49332395
N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766763

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide (CID 32566657) is 1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide is CC(C)(C)c1ccc(C2(C(=O)NCc3cccc(S(N)(=O)=O)c3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is HCJHCHJSSUHOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-20(2,3)16-7-9-17(10-8-16)21(11-12-21)19(24)23-14-15-5-4-6-18(13-15)27(22,25)26/h4-10,13H,11-12,14H2,1-3H3,(H,23,24)(H2,22,25,26).
What are the key properties of 1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide?
1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 32566657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).