(3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide

C17H24N2O5S — CID 97121806

IUPAC(3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OC[C@H](C(=O)NC1CCN(S(C)(=O)=O)CC1)C2
InChIInChI=1S/C17H24N2O5S/c1-23-15-4-3-12-9-13(11-24-16(12)10-15)17(20)18-14-5-7-19(8-6-14)25(2,21)22/h3-4,10,13-14H,5-9,11H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyFSPIVFLVDSBBJR-CYBMUJFWSA-N
MW368.46 g/mol
LogP0.79
Rot. Bonds4

About (3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97121806) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is (3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97121806
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name(3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OC[C@H](C(=O)NC1CCN(S(C)(=O)=O)CC1)C2
InChIInChI=1S/C17H24N2O5S/c1-23-15-4-3-12-9-13(11-24-16(12)10-15)17(20)18-14-5-7-19(8-6-14)25(2,21)22/h3-4,10,13-14H,5-9,11H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyFSPIVFLVDSBBJR-CYBMUJFWSA-N
XLogP0.79
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99103194
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 119427135
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
CID 49192126
methyl (3S)-3-[[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]butanoate
CID 95335885
7-methoxy-N-(5-oxo-1,4-dihydroimidazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 49263413
ethyl (3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334083
5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide
CID 55909333
7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49158782
N-cyclopropyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1093344
7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 49195308

Frequently Asked Questions

What is the IUPAC name of (3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 97121806) is (3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)OC[C@H](C(=O)NC1CCN(S(C)(=O)=O)CC1)C2.
What is the InChIKey of (3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is FSPIVFLVDSBBJR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-23-15-4-3-12-9-13(11-24-16(12)10-15)17(20)18-14-5-7-19(8-6-14)25(2,21)22/h3-4,10,13-14H,5-9,11H2,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97121806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).