4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide

C19H24N4O5S — CID 31743702

IUPAC4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H24N4O5S/c1-4-28-16-10-9-15(11-17(16)29(26,27)23(2)3)22-18(24)14-7-5-13(6-8-14)12-21-19(20)25/h5-11H,4,12H2,1-3H3,(H,22,24)(H3,20,21,25)
InChIKeyRXYJDMUXTYLSBW-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.76
Rot. Bonds8

About 4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide

4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide (PubChem CID 31743702) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide
PubChem CID31743702
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Name4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H24N4O5S/c1-4-28-16-10-9-15(11-17(16)29(26,27)23(2)3)22-18(24)14-7-5-13(6-8-14)12-21-19(20)25/h5-11H,4,12H2,1-3H3,(H,22,24)(H3,20,21,25)
InChIKeyRXYJDMUXTYLSBW-UHFFFAOYSA-N
XLogP1.76
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide
CID 9470026
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-propan-2-ylbenzamide
CID 9470040
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9470148
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(1,3-dithian-2-yl)benzamide
CID 26421884
4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide
CID 26421713
4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide
CID 29216719
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide
CID 55565700
4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide
CID 25333324
4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide
CID 134040694

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide (CID 31743702) is 4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide is CCOc1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide?
The InChIKey is RXYJDMUXTYLSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-4-28-16-10-9-15(11-17(16)29(26,27)23(2)3)22-18(24)14-7-5-13(6-8-14)12-21-19(20)25/h5-11H,4,12H2,1-3H3,(H,22,24)(H3,20,21,25).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide?
4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide has a molecular weight of 420.49 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide is sourced from PubChem (CID 31743702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).