(3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C21H27N3O7S3 — CID 99644769

IUPAC(3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H27N3O7S3/c1-30-18-7-6-17(14-19(18)33(26,27)23-9-11-31-12-10-23)22-21(25)16-4-2-8-24(15-16)34(28,29)20-5-3-13-32-20/h3,5-7,13-14,16H,2,4,8-12,15H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyRQPPFNROXAJBQR-MRXNPFEDSA-N
MW529.66 g/mol
LogP1.82
Rot. Bonds7

About (3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

(3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 99644769) has the molecular formula C21H27N3O7S3 and a molecular weight of 529.66 g/mol. Its IUPAC name is (3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID99644769
Molecular FormulaC21H27N3O7S3
Molecular Weight529.66 g/mol
Exact Mass529.10
IUPAC Name(3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H27N3O7S3/c1-30-18-7-6-17(14-19(18)33(26,27)23-9-11-31-12-10-23)22-21(25)16-4-2-8-24(15-16)34(28,29)20-5-3-13-32-20/h3,5-7,13-14,16H,2,4,8-12,15H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyRQPPFNROXAJBQR-MRXNPFEDSA-N
XLogP1.82
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.66
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(benzenesulfonyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100660568
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 38010763
1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 55412270
(3S)-N-(4-morpholin-4-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 41083967
(3S)-1-(benzenesulfonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100660535
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55956907
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119264823
(3S)-N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012522
methyl 3-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]benzoate
CID 46764341
(3S)-N-(4-bromo-3-chlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92642718
(2R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 8800265

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 99644769) is (3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is RQPPFNROXAJBQR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N3O7S3/c1-30-18-7-6-17(14-19(18)33(26,27)23-9-11-31-12-10-23)22-21(25)16-4-2-8-24(15-16)34(28,29)20-5-3-13-32-20/h3,5-7,13-14,16H,2,4,8-12,15H2,1H3,(H,22,25)/t16-/m1/s1.
What are the key properties of (3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
(3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 529.66 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 99644769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).