N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide

C20H26N2O2S — CID 27231274

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCC(C)N(CCNC(=O)c1cc2c(s1)-c1ccccc1OC2)C(C)C
InChIInChI=1S/C20H26N2O2S/c1-13(2)22(14(3)4)10-9-21-20(23)18-11-15-12-24-17-8-6-5-7-16(17)19(15)25-18/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,21,23)
InChIKeyNAVWBGFQJISLHS-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.16
Rot. Bonds6

About N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 27231274) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID27231274
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCC(C)N(CCNC(=O)c1cc2c(s1)-c1ccccc1OC2)C(C)C
InChIInChI=1S/C20H26N2O2S/c1-13(2)22(14(3)4)10-9-21-20(23)18-11-15-12-24-17-8-6-5-7-16(17)19(15)25-18/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,21,23)
InChIKeyNAVWBGFQJISLHS-UHFFFAOYSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-hydroxybenzoyl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 60517158
N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 24543025
N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134046907
3-[propan-2-yl(4H-thieno[3,2-c]chromene-2-carbonyl)amino]propanoic acid
CID 119207717
N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 27548315
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877886
N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 41187110
2-methyl-2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
CID 119199749
2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
CID 119224142
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 8943601
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 32624170

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide (CID 27231274) is N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide is CC(C)N(CCNC(=O)c1cc2c(s1)-c1ccccc1OC2)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is NAVWBGFQJISLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-13(2)22(14(3)4)10-9-21-20(23)18-11-15-12-24-17-8-6-5-7-16(17)19(15)25-18/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,21,23).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 27231274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).