N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

C27H28N4O4S2 — CID 100795834

IUPACN-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCNc1nc(-c2ccc(OC)c(NC(=O)C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c2)cs1
InChIInChI=1S/C27H28N4O4S2/c1-28-27-30-24(17-36-27)21-8-10-25(35-2)23(16-21)29-26(32)19-11-13-31(14-12-19)37(33,34)22-9-7-18-5-3-4-6-20(18)15-22/h3-10,15-17,19H,11-14H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyODGOWUNNSMTUKJ-UHFFFAOYSA-N
MW536.68 g/mol
LogP5.05
Rot. Bonds7

About N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 100795834) has the molecular formula C27H28N4O4S2 and a molecular weight of 536.68 g/mol. Its IUPAC name is N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID100795834
Molecular FormulaC27H28N4O4S2
Molecular Weight536.68 g/mol
Exact Mass536.16
IUPAC NameN-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCNc1nc(-c2ccc(OC)c(NC(=O)C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c2)cs1
InChIInChI=1S/C27H28N4O4S2/c1-28-27-30-24(17-36-27)21-8-10-25(35-2)23(16-21)29-26(32)19-11-13-31(14-12-19)37(33,34)22-9-7-18-5-3-4-6-20(18)15-22/h3-10,15-17,19H,11-14H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyODGOWUNNSMTUKJ-UHFFFAOYSA-N
XLogP5.05
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100795786
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]piperidine-4-carboxamide
CID 100795728
N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100799509
N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 100799881
1-(4-methoxyphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16831850
(3S)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100801325
(3R)-1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]piperidine-3-carboxamide
CID 100796037
N-(3-chloro-4-methoxyphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 2992364
1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 100795659
(3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]piperidine-3-carboxamide
CID 100796109
1-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16831864
N-(2-chlorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26574910

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (CID 100795834) is N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is CNc1nc(-c2ccc(OC)c(NC(=O)C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c2)cs1.
What is the InChIKey of N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is ODGOWUNNSMTUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4S2/c1-28-27-30-24(17-36-27)21-8-10-25(35-2)23(16-21)29-26(32)19-11-13-31(14-12-19)37(33,34)22-9-7-18-5-3-4-6-20(18)15-22/h3-10,15-17,19H,11-14H2,1-2H3,(H,28,30)(H,29,32).
What are the key properties of N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 536.68 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 100795834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).