N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide

C20H24N2O4S — CID 35826280

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1
InChIInChI=1S/C20H24N2O4S/c1-14(2)22(3)27(24,25)16-8-6-7-15(13-16)20(23)21-18-11-12-26-19-10-5-4-9-17(18)19/h4-10,13-14,18H,11-12H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyNKAWRTLFMVEVNY-SFHVURJKSA-N
MW388.49 g/mol
LogP2.97
Rot. Bonds5

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 35826280) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID35826280
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1
InChIInChI=1S/C20H24N2O4S/c1-14(2)22(3)27(24,25)16-8-6-7-15(13-16)20(23)21-18-11-12-26-19-10-5-4-9-17(18)19/h4-10,13-14,18H,11-12H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyNKAWRTLFMVEVNY-SFHVURJKSA-N
XLogP2.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9193334
1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]urea
CID 55695771
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41411759
3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide
CID 119388175
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide
CID 18115177
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(dimethylsulfamoyl)benzamide
CID 7678486
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
CID 9091692
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide
CID 18193131
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 39958855
N-(2,3-dihydro-1H-inden-1-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297408

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 35826280) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is NKAWRTLFMVEVNY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14(2)22(3)27(24,25)16-8-6-7-15(13-16)20(23)21-18-11-12-26-19-10-5-4-9-17(18)19/h4-10,13-14,18H,11-12H2,1-3H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 35826280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).