(3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide

C17H19NO3S — CID 95050038

IUPAC(3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OC[C@H](C(=O)N(C)Cc1ccsc1)C2
InChIInChI=1S/C17H19NO3S/c1-18(9-12-5-6-22-11-12)17(19)14-7-13-3-4-15(20-2)8-16(13)21-10-14/h3-6,8,11,14H,7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyBTMKJSUHZQQERI-CQSZACIVSA-N
MW317.41 g/mol
LogP2.97
Rot. Bonds4

About (3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 95050038) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is (3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID95050038
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name(3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OC[C@H](C(=O)N(C)Cc1ccsc1)C2
InChIInChI=1S/C17H19NO3S/c1-18(9-12-5-6-22-11-12)17(19)14-7-13-3-4-15(20-2)8-16(13)21-10-14/h3-6,8,11,14H,7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyBTMKJSUHZQQERI-CQSZACIVSA-N
XLogP2.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 96548155
7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 49163224
(2R)-3-[[(3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 97324496
(3R)-7-methoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 136696893
(3R)-N-cyclopropyl-7-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050922
2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid
CID 125153337
ethyl (3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334083
methyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate
CID 94821763
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]thiophene-3-carboxamide
CID 72888189
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 30604031
(3R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 52801470

Frequently Asked Questions

What is the IUPAC name of (3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 95050038) is (3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)OC[C@H](C(=O)N(C)Cc1ccsc1)C2.
What is the InChIKey of (3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is BTMKJSUHZQQERI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-18(9-12-5-6-22-11-12)17(19)14-7-13-3-4-15(20-2)8-16(13)21-10-14/h3-6,8,11,14H,7,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 95050038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).