N-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C19H23NO4S — CID 50955315

IUPACN-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)N(CCO)Cc1sccc1C)C2
InChIInChI=1S/C19H23NO4S/c1-13-6-9-25-17(13)11-20(7-8-21)19(22)15-10-14-4-3-5-16(23-2)18(14)24-12-15/h3-6,9,15,21H,7-8,10-12H2,1-2H3
InChIKeyGMPFWGSKAKKDJC-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.64
Rot. Bonds6

About N-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 50955315) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID50955315
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)N(CCO)Cc1sccc1C)C2
InChIInChI=1S/C19H23NO4S/c1-13-6-9-25-17(13)11-20(7-8-21)19(22)15-10-14-4-3-5-16(23-2)18(14)24-12-15/h3-6,9,15,21H,7-8,10-12H2,1-2H3
InChIKeyGMPFWGSKAKKDJC-UHFFFAOYSA-N
XLogP2.64
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-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

(3R)-8-methoxy-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95212949
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
(3S)-8-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97152035
(3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97144519
[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 95202129
(3S)-8-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97192313
(3R)-8-methoxy-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97203250
(2R)-N-(2-hydroxyethyl)-1-methyl-N-[(3-methylthiophen-2-yl)methyl]azepane-2-carboxamide
CID 95123004
(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97139845
(3S)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 98303481
2-hydroxy-N-(2-hydroxyethyl)-3-(2-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 131911607
(2S,3R)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134709300

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 50955315) is N-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1cccc2c1OCC(C(=O)N(CCO)Cc1sccc1C)C2.
What is the InChIKey of N-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is GMPFWGSKAKKDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-13-6-9-25-17(13)11-20(7-8-21)19(22)15-10-14-4-3-5-16(23-2)18(14)24-12-15/h3-6,9,15,21H,7-8,10-12H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 361.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 50955315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).