N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide

C20H26N4O5S — CID 46519693

IUPACN-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(NC(N)=O)cc2)ccc1OC
InChIInChI=1S/C20H26N4O5S/c1-4-24(5-2)30(27,28)18-12-15(8-11-17(18)29-3)19(25)22-13-14-6-9-16(10-7-14)23-20(21)26/h6-12H,4-5,13H2,1-3H3,(H,22,25)(H3,21,23,26)
InChIKeyAEAKYOILNCCKRI-UHFFFAOYSA-N
MW434.52 g/mol
LogP2.15
Rot. Bonds9

About N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide

N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide (PubChem CID 46519693) has the molecular formula C20H26N4O5S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
PubChem CID46519693
Molecular FormulaC20H26N4O5S
Molecular Weight434.52 g/mol
Exact Mass434.16
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(NC(N)=O)cc2)ccc1OC
InChIInChI=1S/C20H26N4O5S/c1-4-24(5-2)30(27,28)18-12-15(8-11-17(18)29-3)19(25)22-13-14-6-9-16(10-7-14)23-20(21)26/h6-12H,4-5,13H2,1-3H3,(H,22,25)(H3,21,23,26)
InChIKeyAEAKYOILNCCKRI-UHFFFAOYSA-N
XLogP2.15
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
CID 18109975
N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 51122096
3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
CID 55613417
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46591115
[2-(4-methylanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 41072245
3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 31610027
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide
CID 7603394
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 24538441
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 18159614
N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119420241
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 42981152

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide (CID 46519693) is N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(NC(N)=O)cc2)ccc1OC.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is AEAKYOILNCCKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S/c1-4-24(5-2)30(27,28)18-12-15(8-11-17(18)29-3)19(25)22-13-14-6-9-16(10-7-14)23-20(21)26/h6-12H,4-5,13H2,1-3H3,(H,22,25)(H3,21,23,26).
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide?
N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 434.52 g/mol, XLogP of 2.15, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 46519693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).