N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide

C17H16N2O4S — CID 26383582

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
SMILESC[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1cc2ccccc2o1
InChIInChI=1S/C17H16N2O4S/c1-11(16-10-13-4-2-3-5-15(13)23-16)19-17(20)12-6-8-14(9-7-12)24(18,21)22/h2-11H,1H3,(H,19,20)(H2,18,21,22)/t11-/m0/s1
InChIKeyURXKQMOBSGFAML-NSHDSACASA-N
MW344.39 g/mol
LogP2.57
Rot. Bonds4

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide (PubChem CID 26383582) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
PubChem CID26383582
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
SMILESC[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1cc2ccccc2o1
InChIInChI=1S/C17H16N2O4S/c1-11(16-10-13-4-2-3-5-15(13)23-16)19-17(20)12-6-8-14(9-7-12)24(18,21)22/h2-11H,1H3,(H,19,20)(H2,18,21,22)/t11-/m0/s1
InChIKeyURXKQMOBSGFAML-NSHDSACASA-N
XLogP2.57
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 46489933
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9367554
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]benzamide
CID 41139381
N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 45353703
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 51579914
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide
CID 39966545
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
CID 95318825
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-methyl-4-nitrobenzamide
CID 9366048

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide (CID 26383582) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide is C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide?
The InChIKey is URXKQMOBSGFAML-NSHDSACASA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-11(16-10-13-4-2-3-5-15(13)23-16)19-17(20)12-6-8-14(9-7-12)24(18,21)22/h2-11H,1H3,(H,19,20)(H2,18,21,22)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide has a molecular weight of 344.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 26383582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).