N-[(4-bromothiophen-2-yl)methyl]-3-(diethylsulfamoyl)-4-methoxy-N-methylbenzamide

C18H23BrN2O4S2 — CID 55742987

IUPACN-[(4-bromothiophen-2-yl)methyl]-3-(diethylsulfamoyl)-4-methoxy-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2cc(Br)cs2)ccc1OC
InChIInChI=1S/C18H23BrN2O4S2/c1-5-21(6-2)27(23,24)17-9-13(7-8-16(17)25-4)18(22)20(3)11-15-10-14(19)12-26-15/h7-10,12H,5-6,11H2,1-4H3
InChIKeyRGQBHYDYAJMFTQ-UHFFFAOYSA-N
MW475.43 g/mol
LogP3.82
Rot. Bonds8

About N-[(4-bromothiophen-2-yl)methyl]-3-(diethylsulfamoyl)-4-methoxy-N-methylbenzamide

N-[(4-bromothiophen-2-yl)methyl]-3-(diethylsulfamoyl)-4-methoxy-N-methylbenzamide (PubChem CID 55742987) has the molecular formula C18H23BrN2O4S2 and a molecular weight of 475.43 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-3-(diethylsulfamoyl)-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-3-(diethylsulfamoyl)-4-methoxy-N-methylbenzamide
PubChem CID55742987
Molecular FormulaC18H23BrN2O4S2
Molecular Weight475.43 g/mol
Exact Mass474.03
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-3-(diethylsulfamoyl)-4-methoxy-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2cc(Br)cs2)ccc1OC
InChIInChI=1S/C18H23BrN2O4S2/c1-5-21(6-2)27(23,24)17-9-13(7-8-16(17)25-4)18(22)20(3)11-15-10-14(19)12-26-15/h7-10,12H,5-6,11H2,1-4H3
InChIKeyRGQBHYDYAJMFTQ-UHFFFAOYSA-N
XLogP3.82
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-N-methylbenzamide
CID 55742620
N-[(4-bromothiophen-2-yl)methyl]-4-tert-butyl-N-methylbenzamide
CID 63531679
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220863
3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
CID 18109975
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide
CID 47421884
3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide
CID 55601920
4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 18170668
N-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide
CID 47042156
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107026057
4-N-[(4-bromothiophen-2-yl)methyl]-1-N-tert-butyl-4-N-methylbenzene-1,4-dicarboxamide
CID 48858058
(4-chlorophenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 1322449

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-(diethylsulfamoyl)-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-(diethylsulfamoyl)-4-methoxy-N-methylbenzamide (CID 55742987) is N-[(4-bromothiophen-2-yl)methyl]-3-(diethylsulfamoyl)-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-3-(diethylsulfamoyl)-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-3-(diethylsulfamoyl)-4-methoxy-N-methylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2cc(Br)cs2)ccc1OC.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-3-(diethylsulfamoyl)-4-methoxy-N-methylbenzamide?
The InChIKey is RGQBHYDYAJMFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O4S2/c1-5-21(6-2)27(23,24)17-9-13(7-8-16(17)25-4)18(22)20(3)11-15-10-14(19)12-26-15/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-3-(diethylsulfamoyl)-4-methoxy-N-methylbenzamide?
N-[(4-bromothiophen-2-yl)methyl]-3-(diethylsulfamoyl)-4-methoxy-N-methylbenzamide has a molecular weight of 475.43 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-3-(diethylsulfamoyl)-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 55742987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).