1-(1-naphthalen-1-ylethyl)-3-[4-(sulfamoylamino)phenyl]urea

C19H20N4O3S — CID 71273631

IUPAC1-(1-naphthalen-1-ylethyl)-3-[4-(sulfamoylamino)phenyl]urea
SMILESCC(NC(=O)Nc1ccc(NS(N)(=O)=O)cc1)c1cccc2ccccc12
InChIInChI=1S/C19H20N4O3S/c1-13(17-8-4-6-14-5-2-3-7-18(14)17)21-19(24)22-15-9-11-16(12-10-15)23-27(20,25)26/h2-13,23H,1H3,(H2,20,25,26)(H2,21,22,24)
InChIKeyFMKCGWOUHFVPIR-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.34
Rot. Bonds5

About 1-(1-naphthalen-1-ylethyl)-3-[4-(sulfamoylamino)phenyl]urea

1-(1-naphthalen-1-ylethyl)-3-[4-(sulfamoylamino)phenyl]urea (PubChem CID 71273631) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-(1-naphthalen-1-ylethyl)-3-[4-(sulfamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-(1-naphthalen-1-ylethyl)-3-[4-(sulfamoylamino)phenyl]urea
PubChem CID71273631
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name1-(1-naphthalen-1-ylethyl)-3-[4-(sulfamoylamino)phenyl]urea
SMILESCC(NC(=O)Nc1ccc(NS(N)(=O)=O)cc1)c1cccc2ccccc12
InChIInChI=1S/C19H20N4O3S/c1-13(17-8-4-6-14-5-2-3-7-18(14)17)21-19(24)22-15-9-11-16(12-10-15)23-27(20,25)26/h2-13,23H,1H3,(H2,20,25,26)(H2,21,22,24)
InChIKeyFMKCGWOUHFVPIR-UHFFFAOYSA-N
XLogP3.34
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-1-ylethyl)-3-[4-(sulfamoylamino)phenyl]urea?
The IUPAC name of 1-(1-naphthalen-1-ylethyl)-3-[4-(sulfamoylamino)phenyl]urea (CID 71273631) is 1-(1-naphthalen-1-ylethyl)-3-[4-(sulfamoylamino)phenyl]urea.
What is the SMILES notation for 1-(1-naphthalen-1-ylethyl)-3-[4-(sulfamoylamino)phenyl]urea?
The canonical SMILES for 1-(1-naphthalen-1-ylethyl)-3-[4-(sulfamoylamino)phenyl]urea is CC(NC(=O)Nc1ccc(NS(N)(=O)=O)cc1)c1cccc2ccccc12.
What is the InChIKey of 1-(1-naphthalen-1-ylethyl)-3-[4-(sulfamoylamino)phenyl]urea?
The InChIKey is FMKCGWOUHFVPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13(17-8-4-6-14-5-2-3-7-18(14)17)21-19(24)22-15-9-11-16(12-10-15)23-27(20,25)26/h2-13,23H,1H3,(H2,20,25,26)(H2,21,22,24).
What are the key properties of 1-(1-naphthalen-1-ylethyl)-3-[4-(sulfamoylamino)phenyl]urea?
1-(1-naphthalen-1-ylethyl)-3-[4-(sulfamoylamino)phenyl]urea has a molecular weight of 384.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-1-ylethyl)-3-[4-(sulfamoylamino)phenyl]urea is sourced from PubChem (CID 71273631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).