1-[4-(methylsulfamoyl)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea

C20H20N4O4S — CID 11567780

IUPAC1-[4-(methylsulfamoyl)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESCNS(=O)(=O)c1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1
InChIInChI=1S/C20H20N4O4S/c1-21-29(26,27)17-11-9-16(10-12-17)23-20(25)24-19-18(8-5-13-22-19)28-14-15-6-3-2-4-7-15/h2-13,21H,14H2,1H3,(H2,22,23,24,25)
InChIKeyBYVFQVHOGRSALB-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.21
Rot. Bonds7

About 1-[4-(methylsulfamoyl)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea

1-[4-(methylsulfamoyl)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea (PubChem CID 11567780) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 1-[4-(methylsulfamoyl)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[4-(methylsulfamoyl)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea
PubChem CID11567780
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name1-[4-(methylsulfamoyl)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESCNS(=O)(=O)c1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1
InChIInChI=1S/C20H20N4O4S/c1-21-29(26,27)17-11-9-16(10-12-17)23-20(25)24-19-18(8-5-13-22-19)28-14-15-6-3-2-4-7-15/h2-13,21H,14H2,1H3,(H2,22,23,24,25)
InChIKeyBYVFQVHOGRSALB-UHFFFAOYSA-N
XLogP3.21
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
4-{[4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxypyridin-2-yl]amino}benzenesulfonamide
CID 25192275
4-({4-[(2,6-Dimethylpyridin-3-yl)oxy]pyridin-2-yl}amino)benzenesulfonamide
CID 25192277
1-(3-Benzyloxypyridin-2-yl)-3-(3-chlorophenyl)urea
CID 4128827
N-[3-(benzyloxy)pyridin-2-yl]benzenesulfonamide
CID 4338178
1-[(1R,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-3-[5-(4-sulfamoylphenoxy)-2-pyridinyl]urea
CID 118715063
1-(4-Ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
CID 2811862
3-[3-(Benzyloxy)pyridin-2-yl]-1-(4-nitrophenyl)urea
CID 4401642
3-[3-(Benzyloxy)pyridin-2-yl]-1-[3-(trifluoromethyl)phenyl]urea
CID 5020377
1-(3-Benzyloxy-2-pyridyl)-3-(3-nitrophenyl)urea
CID 11631957
1-(3-Benzyloxy-2-pyridyl)-3-(4-sulfamoylphenyl)urea
CID 11632684
1-(3-Benzyloxy-2-pyridyl)-3-(2-chlorophenyl)urea
CID 11638938

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylsulfamoyl)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea?
The IUPAC name of 1-[4-(methylsulfamoyl)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea (CID 11567780) is 1-[4-(methylsulfamoyl)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea.
What is the SMILES notation for 1-[4-(methylsulfamoyl)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea?
The canonical SMILES for 1-[4-(methylsulfamoyl)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea is CNS(=O)(=O)c1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1.
What is the InChIKey of 1-[4-(methylsulfamoyl)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea?
The InChIKey is BYVFQVHOGRSALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-21-29(26,27)17-11-9-16(10-12-17)23-20(25)24-19-18(8-5-13-22-19)28-14-15-6-3-2-4-7-15/h2-13,21H,14H2,1H3,(H2,22,23,24,25).
What are the key properties of 1-[4-(methylsulfamoyl)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea?
1-[4-(methylsulfamoyl)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea has a molecular weight of 412.47 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylsulfamoyl)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea is sourced from PubChem (CID 11567780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).