10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide

C23H25N3O2S — CID 67922725

IUPAC10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide
SMILESC[C@H](CN(C)C)N1c2ccccc2Sc2ccc(C(=O)NCc3ccco3)cc21
InChIInChI=1S/C23H25N3O2S/c1-16(15-25(2)3)26-19-8-4-5-9-21(19)29-22-11-10-17(13-20(22)26)23(27)24-14-18-7-6-12-28-18/h4-13,16H,14-15H2,1-3H3,(H,24,27)/t16-/m1/s1
InChIKeySHFALGQDPYMAST-MRXNPFEDSA-N
MW407.54 g/mol
LogP4.76
Rot. Bonds6

About 10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide

10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide (PubChem CID 67922725) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide.

Molecular Properties

Compound Name10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide
PubChem CID67922725
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide
SMILESC[C@H](CN(C)C)N1c2ccccc2Sc2ccc(C(=O)NCc3ccco3)cc21
InChIInChI=1S/C23H25N3O2S/c1-16(15-25(2)3)26-19-8-4-5-9-21(19)29-22-11-10-17(13-20(22)26)23(27)24-14-18-7-6-12-28-18/h4-13,16H,14-15H2,1-3H3,(H,24,27)/t16-/m1/s1
InChIKeySHFALGQDPYMAST-MRXNPFEDSA-N
XLogP4.76
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 4668742
10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride
CID 15925240
N-ethyl-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carboxamide;hydrochloride
CID 19860965
N-(3-methylbutyl)-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carboxamide;hydrochloride
CID 14536612
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(3-methylbutyl)-10-(4-methyl-5-pyrrolidin-1-ylpentan-2-yl)phenothiazine-2-carboxamide
CID 67827211
2-(dimethylamino)-4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 146579297
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
4-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 146579296
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide
CID 82938141

Frequently Asked Questions

What is the IUPAC name of 10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide?
The IUPAC name of 10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide (CID 67922725) is 10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide.
What is the SMILES notation for 10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide?
The canonical SMILES for 10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide is C[C@H](CN(C)C)N1c2ccccc2Sc2ccc(C(=O)NCc3ccco3)cc21.
What is the InChIKey of 10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide?
The InChIKey is SHFALGQDPYMAST-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-16(15-25(2)3)26-19-8-4-5-9-21(19)29-22-11-10-17(13-20(22)26)23(27)24-14-18-7-6-12-28-18/h4-13,16H,14-15H2,1-3H3,(H,24,27)/t16-/m1/s1.
What are the key properties of 10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide?
10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide is sourced from PubChem (CID 67922725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).