(2R)-2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]propanamide

C19H22N2O4S — CID 69089871

IUPAC(2R)-2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]propanamide
SMILESC[C@@H](NCC1CCc2ccc(S(=O)(=O)c3ccccc3)cc2O1)C(N)=O
InChIInChI=1S/C19H22N2O4S/c1-13(19(20)22)21-12-15-9-7-14-8-10-17(11-18(14)25-15)26(23,24)16-5-3-2-4-6-16/h2-6,8,10-11,13,15,21H,7,9,12H2,1H3,(H2,20,22)/t13-,15?/m1/s1
InChIKeyHEZMTAKWTCYMLO-AFYYWNPRSA-N
MW374.46 g/mol
LogP1.68
Rot. Bonds6

About (2R)-2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]propanamide

(2R)-2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]propanamide (PubChem CID 69089871) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is (2R)-2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]propanamide.

Molecular Properties

Compound Name(2R)-2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]propanamide
PubChem CID69089871
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name(2R)-2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]propanamide
SMILESC[C@@H](NCC1CCc2ccc(S(=O)(=O)c3ccccc3)cc2O1)C(N)=O
InChIInChI=1S/C19H22N2O4S/c1-13(19(20)22)21-12-15-9-7-14-8-10-17(11-18(14)25-15)26(23,24)16-5-3-2-4-6-16/h2-6,8,10-11,13,15,21H,7,9,12H2,1H3,(H2,20,22)/t13-,15?/m1/s1
InChIKeyHEZMTAKWTCYMLO-AFYYWNPRSA-N
XLogP1.68
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]propanamide?
The IUPAC name of (2R)-2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]propanamide (CID 69089871) is (2R)-2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]propanamide.
What is the SMILES notation for (2R)-2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]propanamide?
The canonical SMILES for (2R)-2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]propanamide is C[C@@H](NCC1CCc2ccc(S(=O)(=O)c3ccccc3)cc2O1)C(N)=O.
What is the InChIKey of (2R)-2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]propanamide?
The InChIKey is HEZMTAKWTCYMLO-AFYYWNPRSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13(19(20)22)21-12-15-9-7-14-8-10-17(11-18(14)25-15)26(23,24)16-5-3-2-4-6-16/h2-6,8,10-11,13,15,21H,7,9,12H2,1H3,(H2,20,22)/t13-,15?/m1/s1.
What are the key properties of (2R)-2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]propanamide?
(2R)-2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]propanamide has a molecular weight of 374.46 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]propanamide is sourced from PubChem (CID 69089871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).