N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide

C16H17NO3S — CID 41187110

IUPACN-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCOC[C@@H](C)NC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C16H17NO3S/c1-10(8-19-2)17-16(18)14-7-11-9-20-13-6-4-3-5-12(13)15(11)21-14/h3-7,10H,8-9H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyFRUFGUSVHFJHFT-SNVBAGLBSA-N
MW303.38 g/mol
LogP3.07
Rot. Bonds4

About N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide

N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 41187110) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID41187110
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCOC[C@@H](C)NC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C16H17NO3S/c1-10(8-19-2)17-16(18)14-7-11-9-20-13-6-4-3-5-12(13)15(11)21-14/h3-7,10H,8-9H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyFRUFGUSVHFJHFT-SNVBAGLBSA-N
XLogP3.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxypropan-2-yl)-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
CID 66869372
N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 24543025
2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
CID 119224142
N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 27231274
N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 55964946
2-methyl-2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
CID 119199749
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
N-[2-[(1-hydroxy-1-methoxy-5-methylhexan-2-yl)amino]-2-oxoethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 139401484
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 32624170
N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 27548315
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride
CID 120947984
3-[propan-2-yl(4H-thieno[3,2-c]chromene-2-carbonyl)amino]propanoic acid
CID 119207717

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide (CID 41187110) is N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide is COC[C@@H](C)NC(=O)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is FRUFGUSVHFJHFT-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-10(8-19-2)17-16(18)14-7-11-9-20-13-6-4-3-5-12(13)15(11)21-14/h3-7,10H,8-9H2,1-2H3,(H,17,18)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 41187110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).