N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide

C16H20N2O4S2 — CID 51947181

IUPACN-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide
SMILESCONS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cc(C)sc2C)cc1
InChIInChI=1S/C16H20N2O4S2/c1-10-9-15(12(3)23-10)11(2)17-16(19)13-5-7-14(8-6-13)24(20,21)18-22-4/h5-9,11,18H,1-4H3,(H,17,19)/t11-/m1/s1
InChIKeyLYUDQGJBGLOUGN-LLVKDONJSA-N
MW368.48 g/mol
LogP2.70
Rot. Bonds6

About N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide

N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide (PubChem CID 51947181) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide
PubChem CID51947181
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC NameN-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide
SMILESCONS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cc(C)sc2C)cc1
InChIInChI=1S/C16H20N2O4S2/c1-10-9-15(12(3)23-10)11(2)17-16(19)13-5-7-14(8-6-13)24(20,21)18-22-4/h5-9,11,18H,1-4H3,(H,17,19)/t11-/m1/s1
InChIKeyLYUDQGJBGLOUGN-LLVKDONJSA-N
XLogP2.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride
CID 119287416
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide
CID 43696642
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 63212879
N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 39167644
N-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide
CID 55706292
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 60967175
6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide
CID 62073045
4-chloro-N-[(2S)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 39167663
4-chloro-N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 39167661
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 51956179
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide
CID 43742464

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide (CID 51947181) is N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide is CONS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cc(C)sc2C)cc1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide?
The InChIKey is LYUDQGJBGLOUGN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-10-9-15(12(3)23-10)11(2)17-16(19)13-5-7-14(8-6-13)24(20,21)18-22-4/h5-9,11,18H,1-4H3,(H,17,19)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide?
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide has a molecular weight of 368.48 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide is sourced from PubChem (CID 51947181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).