N-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C26H26N4O2S — CID 92691885

IUPACN-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESO=C(Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C26H26N4O2S/c31-24(29-22-8-3-6-19-5-1-2-7-21(19)22)17-18-10-12-20(13-11-18)28-26(32)30-15-16-33-25-23(30)9-4-14-27-25/h1-2,4-5,7,9-14,22H,3,6,8,15-17H2,(H,28,32)(H,29,31)/t22-/m0/s1
InChIKeyWILYQNMPRMDYLA-QFIPXVFZSA-N
MW458.59 g/mol
LogP4.96
Rot. Bonds4

About N-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

N-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 92691885) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID92691885
Molecular FormulaC26H26N4O2S
Molecular Weight458.59 g/mol
Exact Mass458.18
IUPAC NameN-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESO=C(Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C26H26N4O2S/c31-24(29-22-8-3-6-19-5-1-2-7-21(19)22)17-18-10-12-20(13-11-18)28-26(32)30-15-16-33-25-23(30)9-4-14-27-25/h1-2,4-5,7,9-14,22H,3,6,8,15-17H2,(H,28,32)(H,29,31)/t22-/m0/s1
InChIKeyWILYQNMPRMDYLA-QFIPXVFZSA-N
XLogP4.96
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide with MolForge

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Related Compounds

N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 92691884
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921257
5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
CID 20951569
N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921266
N-[4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921260
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338642
N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921259
N-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20920690
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943972
2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]acetamide
CID 166276896
N-(4-fluorophenyl)-6H-pyrido[2,3-b][1,4]benzothiazepine-5-carboxamide
CID 20886219
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of N-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 92691885) is N-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for N-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is O=C(Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1)N[C@H]1CCCc2ccccc21.
What is the InChIKey of N-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is WILYQNMPRMDYLA-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H26N4O2S/c31-24(29-22-8-3-6-19-5-1-2-7-21(19)22)17-18-10-12-20(13-11-18)28-26(32)30-15-16-33-25-23(30)9-4-14-27-25/h1-2,4-5,7,9-14,22H,3,6,8,15-17H2,(H,28,32)(H,29,31)/t22-/m0/s1.
What are the key properties of N-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
N-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 458.59 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 92691885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).