N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide

C20H23NO3S — CID 128571002

IUPACN-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide
SMILESCC1(S(=O)(=O)NC(c2ccccc2)c2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C20H23NO3S/c1-20(11-12-20)25(22,23)21-19(15-6-3-2-4-7-15)17-9-10-18-16(14-17)8-5-13-24-18/h2-4,6-7,9-10,14,19,21H,5,8,11-13H2,1H3
InChIKeyPTHFTAGOSYXVJG-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.57
Rot. Bonds5

About N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide

N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide (PubChem CID 128571002) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide
PubChem CID128571002
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC NameN-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide
SMILESCC1(S(=O)(=O)NC(c2ccccc2)c2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C20H23NO3S/c1-20(11-12-20)25(22,23)21-19(15-6-3-2-4-7-15)17-9-10-18-16(14-17)8-5-13-24-18/h2-4,6-7,9-10,14,19,21H,5,8,11-13H2,1H3
InChIKeyPTHFTAGOSYXVJG-UHFFFAOYSA-N
XLogP3.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene
CID 164630860
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine
CID 61027484
(2R)-2-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propanamide
CID 119320933
N-[2,3-dihydro-1-benzofuran-5-yl(phenyl)methyl]ethanamine
CID 43489842
4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide
CID 120562483
2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide
CID 91648959
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119320930
1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 119125341
N-[3,4-dihydro-2H-chromen-6-yl-(4-iodophenyl)methyl]ethanamine
CID 61027766
(3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide
CID 95319395
N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 99701816
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-nitrobenzamide
CID 102556629

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide?
The IUPAC name of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide (CID 128571002) is N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide.
What is the SMILES notation for N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide?
The canonical SMILES for N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide is CC1(S(=O)(=O)NC(c2ccccc2)c2ccc3c(c2)CCCO3)CC1.
What is the InChIKey of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide?
The InChIKey is PTHFTAGOSYXVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-20(11-12-20)25(22,23)21-19(15-6-3-2-4-7-15)17-9-10-18-16(14-17)8-5-13-24-18/h2-4,6-7,9-10,14,19,21H,5,8,11-13H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide?
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide has a molecular weight of 357.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide is sourced from PubChem (CID 128571002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).