N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide

C18H21NO4S — CID 97275063

IUPACN-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)NC[C@H]2COc3c(cccc3OC)C2)s1
InChIInChI=1S/C18H21NO4S/c1-21-11-14-6-7-16(24-14)18(20)19-9-12-8-13-4-3-5-15(22-2)17(13)23-10-12/h3-7,12H,8-11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyPSVUHVVGEZRQOG-LBPRGKRZSA-N
MW347.44 g/mol
LogP2.88
Rot. Bonds6

About N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide

N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide (PubChem CID 97275063) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide
PubChem CID97275063
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)NC[C@H]2COc3c(cccc3OC)C2)s1
InChIInChI=1S/C18H21NO4S/c1-21-11-14-6-7-16(24-14)18(20)19-9-12-8-13-4-3-5-15(22-2)17(13)23-10-12/h3-7,12H,8-11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyPSVUHVVGEZRQOG-LBPRGKRZSA-N
XLogP2.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-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

N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 99929986
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 97207845
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 97188775
4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
CID 72849484
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide
CID 72877803
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 97198807
1-N'-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]cyclopropane-1,1-dicarboxamide
CID 72847861
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinoline-5-carboxamide
CID 72926769
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 97208878
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 97275621
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide
CID 97278413
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 97208608

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide (CID 97275063) is N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide is COCc1ccc(C(=O)NC[C@H]2COc3c(cccc3OC)C2)s1.
What is the InChIKey of N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide?
The InChIKey is PSVUHVVGEZRQOG-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-21-11-14-6-7-16(24-14)18(20)19-9-12-8-13-4-3-5-15(22-2)17(13)23-10-12/h3-7,12H,8-11H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide?
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 97275063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).