(2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C17H18N2O4S — CID 39996118

IUPAC(2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H18N2O4S/c1-11(12-6-8-14(9-7-12)24(18,21)22)19-17(20)16-10-13-4-2-3-5-15(13)23-16/h2-9,11,16H,10H2,1H3,(H,19,20)(H2,18,21,22)/t11-,16+/m1/s1
InChIKeyRDHBMDPRGZPHNC-BZNIZROVSA-N
MW346.41 g/mol
LogP1.51
Rot. Bonds4

About (2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 39996118) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID39996118
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name(2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H18N2O4S/c1-11(12-6-8-14(9-7-12)24(18,21)22)19-17(20)16-10-13-4-2-3-5-15(13)23-16/h2-9,11,16H,10H2,1H3,(H,19,20)(H2,18,21,22)/t11-,16+/m1/s1
InChIKeyRDHBMDPRGZPHNC-BZNIZROVSA-N
XLogP1.51
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1R)-1-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 129469380
N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089481
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42892740
(3R)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51542608
(2R)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37007761
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55961284
(2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37462398
(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37006047
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55638891
(2R,3S)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-3-methylpentanoic acid
CID 124838129
N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
CID 47364042

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 39996118) is (2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is C[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is RDHBMDPRGZPHNC-BZNIZROVSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-11(12-6-8-14(9-7-12)24(18,21)22)19-17(20)16-10-13-4-2-3-5-15(13)23-16/h2-9,11,16H,10H2,1H3,(H,19,20)(H2,18,21,22)/t11-,16+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 39996118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).