1-(4-methoxynaphthalen-2-yl)sulfonyl-3-[4-[[4-[(4-methoxynaphthalen-2-yl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea

C37H32N4O8S2 — CID 19607144

IUPAC1-(4-methoxynaphthalen-2-yl)sulfonyl-3-[4-[[4-[(4-methoxynaphthalen-2-yl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea
SMILESCOc1cc(S(=O)(=O)NC(=O)Nc2ccc(Cc3ccc(NC(=O)NS(=O)(=O)c4cc(OC)c5ccccc5c4)cc3)cc2)cc2ccccc12
InChIInChI=1S/C37H32N4O8S2/c1-48-34-22-30(20-26-7-3-5-9-32(26)34)50(44,45)40-36(42)38-28-15-11-24(12-16-28)19-25-13-17-29(18-14-25)39-37(43)41-51(46,47)31-21-27-8-4-6-10-33(27)35(23-31)49-2/h3-18,20-23H,19H2,1-2H3,(H2,38,40,42)(H2,39,41,43)
InChIKeyUZVUWCXENFYFFI-UHFFFAOYSA-N
MW724.82 g/mol
LogP6.62
Rot. Bonds10

About 1-(4-methoxynaphthalen-2-yl)sulfonyl-3-[4-[[4-[(4-methoxynaphthalen-2-yl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea

1-(4-methoxynaphthalen-2-yl)sulfonyl-3-[4-[[4-[(4-methoxynaphthalen-2-yl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea (PubChem CID 19607144) has the molecular formula C37H32N4O8S2 and a molecular weight of 724.82 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-2-yl)sulfonyl-3-[4-[[4-[(4-methoxynaphthalen-2-yl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-2-yl)sulfonyl-3-[4-[[4-[(4-methoxynaphthalen-2-yl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea
PubChem CID19607144
Molecular FormulaC37H32N4O8S2
Molecular Weight724.82 g/mol
Exact Mass724.17
IUPAC Name1-(4-methoxynaphthalen-2-yl)sulfonyl-3-[4-[[4-[(4-methoxynaphthalen-2-yl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea
SMILESCOc1cc(S(=O)(=O)NC(=O)Nc2ccc(Cc3ccc(NC(=O)NS(=O)(=O)c4cc(OC)c5ccccc5c4)cc3)cc2)cc2ccccc12
InChIInChI=1S/C37H32N4O8S2/c1-48-34-22-30(20-26-7-3-5-9-32(26)34)50(44,45)40-36(42)38-28-15-11-24(12-16-28)19-25-13-17-29(18-14-25)39-37(43)41-51(46,47)31-21-27-8-4-6-10-33(27)35(23-31)49-2/h3-18,20-23H,19H2,1-2H3,(H2,38,40,42)(H2,39,41,43)
InChIKeyUZVUWCXENFYFFI-UHFFFAOYSA-N
XLogP6.62
TPSA169.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.82
LogP ≤ 56.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea
CID 23176149
1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea
CID 166327902
1-(3-nitrophenyl)sulfonyl-3-[4-[[4-[(3-nitrophenyl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 19966682
1-(4-benzylphenyl)-3-methylurea
CID 145326557
1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea
CID 139806277
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
CID 38167516
1-(4-methoxy-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 110774458
N-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide
CID 139878374
1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea
CID 149149080
1-propan-2-ylsulfonyl-3-[4-[[4-(propan-2-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea
CID 19966672
1-[4-[[2,4-bis[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 19607119
1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane
CID 91616190

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-2-yl)sulfonyl-3-[4-[[4-[(4-methoxynaphthalen-2-yl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea?
The IUPAC name of 1-(4-methoxynaphthalen-2-yl)sulfonyl-3-[4-[[4-[(4-methoxynaphthalen-2-yl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea (CID 19607144) is 1-(4-methoxynaphthalen-2-yl)sulfonyl-3-[4-[[4-[(4-methoxynaphthalen-2-yl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea.
What is the SMILES notation for 1-(4-methoxynaphthalen-2-yl)sulfonyl-3-[4-[[4-[(4-methoxynaphthalen-2-yl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea?
The canonical SMILES for 1-(4-methoxynaphthalen-2-yl)sulfonyl-3-[4-[[4-[(4-methoxynaphthalen-2-yl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea is COc1cc(S(=O)(=O)NC(=O)Nc2ccc(Cc3ccc(NC(=O)NS(=O)(=O)c4cc(OC)c5ccccc5c4)cc3)cc2)cc2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalen-2-yl)sulfonyl-3-[4-[[4-[(4-methoxynaphthalen-2-yl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea?
The InChIKey is UZVUWCXENFYFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4O8S2/c1-48-34-22-30(20-26-7-3-5-9-32(26)34)50(44,45)40-36(42)38-28-15-11-24(12-16-28)19-25-13-17-29(18-14-25)39-37(43)41-51(46,47)31-21-27-8-4-6-10-33(27)35(23-31)49-2/h3-18,20-23H,19H2,1-2H3,(H2,38,40,42)(H2,39,41,43).
What are the key properties of 1-(4-methoxynaphthalen-2-yl)sulfonyl-3-[4-[[4-[(4-methoxynaphthalen-2-yl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea?
1-(4-methoxynaphthalen-2-yl)sulfonyl-3-[4-[[4-[(4-methoxynaphthalen-2-yl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea has a molecular weight of 724.82 g/mol, XLogP of 6.62, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxynaphthalen-2-yl)sulfonyl-3-[4-[[4-[(4-methoxynaphthalen-2-yl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea is sourced from PubChem (CID 19607144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).