1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea

C19H22N2O4S — CID 71941344

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
SMILESCC(NC(=O)NC1CCOc2ccccc21)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-13(14-7-9-15(10-8-14)26(2,23)24)20-19(22)21-17-11-12-25-18-6-4-3-5-16(17)18/h3-10,13,17H,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyNNABILORXCVULZ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.97
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea

1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea (PubChem CID 71941344) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
PubChem CID71941344
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
SMILESCC(NC(=O)NC1CCOc2ccccc21)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-13(14-7-9-15(10-8-14)26(2,23)24)20-19(22)21-17-11-12-25-18-6-4-3-5-16(17)18/h3-10,13,17H,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyNNABILORXCVULZ-UHFFFAOYSA-N
XLogP2.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
CID 55063461
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94025535
1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]urea
CID 55695771
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
1-(1-cyclopropylethyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 134001825
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid
CID 62366276
(3R)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51542608
N-(1-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648022
1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea
CID 166350491
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea
CID 94177707
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea (CID 71941344) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea is CC(NC(=O)NC1CCOc2ccccc21)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
The InChIKey is NNABILORXCVULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13(14-7-9-15(10-8-14)26(2,23)24)20-19(22)21-17-11-12-25-18-6-4-3-5-16(17)18/h3-10,13,17H,11-12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea has a molecular weight of 374.46 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea is sourced from PubChem (CID 71941344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).