methyl N-[4-[(2-thiophen-2-yl-4-pyridinyl)methylsulfamoyl]phenyl]carbamate

C18H17N3O4S2 — CID 91630406

IUPACmethyl N-[4-[(2-thiophen-2-yl-4-pyridinyl)methylsulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)NCc2ccnc(-c3cccs3)c2)cc1
InChIInChI=1S/C18H17N3O4S2/c1-25-18(22)21-14-4-6-15(7-5-14)27(23,24)20-12-13-8-9-19-16(11-13)17-3-2-10-26-17/h2-11,20H,12H2,1H3,(H,21,22)
InChIKeyOZSKWCHYTUSSLM-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.47
Rot. Bonds6

About methyl N-[4-[(2-thiophen-2-yl-4-pyridinyl)methylsulfamoyl]phenyl]carbamate

methyl N-[4-[(2-thiophen-2-yl-4-pyridinyl)methylsulfamoyl]phenyl]carbamate (PubChem CID 91630406) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is methyl N-[4-[(2-thiophen-2-yl-4-pyridinyl)methylsulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-thiophen-2-yl-4-pyridinyl)methylsulfamoyl]phenyl]carbamate
PubChem CID91630406
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC Namemethyl N-[4-[(2-thiophen-2-yl-4-pyridinyl)methylsulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)NCc2ccnc(-c3cccs3)c2)cc1
InChIInChI=1S/C18H17N3O4S2/c1-25-18(22)21-14-4-6-15(7-5-14)27(23,24)20-12-13-8-9-19-16(11-13)17-3-2-10-26-17/h2-11,20H,12H2,1H3,(H,21,22)
InChIKeyOZSKWCHYTUSSLM-UHFFFAOYSA-N
XLogP3.47
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-thiophen-2-yl-4-pyridinyl)methylsulfamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-thiophen-2-yl-4-pyridinyl)methylsulfamoyl]phenyl]carbamate (CID 91630406) is methyl N-[4-[(2-thiophen-2-yl-4-pyridinyl)methylsulfamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-thiophen-2-yl-4-pyridinyl)methylsulfamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-thiophen-2-yl-4-pyridinyl)methylsulfamoyl]phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)NCc2ccnc(-c3cccs3)c2)cc1.
What is the InChIKey of methyl N-[4-[(2-thiophen-2-yl-4-pyridinyl)methylsulfamoyl]phenyl]carbamate?
The InChIKey is OZSKWCHYTUSSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c1-25-18(22)21-14-4-6-15(7-5-14)27(23,24)20-12-13-8-9-19-16(11-13)17-3-2-10-26-17/h2-11,20H,12H2,1H3,(H,21,22).
What are the key properties of methyl N-[4-[(2-thiophen-2-yl-4-pyridinyl)methylsulfamoyl]phenyl]carbamate?
methyl N-[4-[(2-thiophen-2-yl-4-pyridinyl)methylsulfamoyl]phenyl]carbamate has a molecular weight of 403.49 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-thiophen-2-yl-4-pyridinyl)methylsulfamoyl]phenyl]carbamate is sourced from PubChem (CID 91630406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).