(3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide

C19H26N2O4S — CID 95279539

IUPAC(3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H26N2O4S/c1-13-11-15(19(23)21-9-4-3-5-14(21)2)6-7-17(13)20-18(22)16-8-10-26(24,25)12-16/h6-7,11,14,16H,3-5,8-10,12H2,1-2H3,(H,20,22)/t14-,16-/m0/s1
InChIKeyUMTYLLSWNBMBSE-HOCLYGCPSA-N
MW378.49 g/mol
LogP2.38
Rot. Bonds3

About (3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide

(3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 95279539) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is (3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID95279539
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name(3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H26N2O4S/c1-13-11-15(19(23)21-9-4-3-5-14(21)2)6-7-17(13)20-18(22)16-8-10-26(24,25)12-16/h6-7,11,14,16H,3-5,8-10,12H2,1-2H3,(H,20,22)/t14-,16-/m0/s1
InChIKeyUMTYLLSWNBMBSE-HOCLYGCPSA-N
XLogP2.38
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 119305940
5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119113859
2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120790160
2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 56580263
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide
CID 95139458
4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 120590472
2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide
CID 86933803
N-(4-bromo-2-methylphenyl)-1,1-dioxothiane-3-carboxamide
CID 110863036
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
[3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 100623753
2-N,2-N,6-trimethyl-5-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide
CID 86890412
N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 128950826

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide (CID 95279539) is (3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide is Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is UMTYLLSWNBMBSE-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-13-11-15(19(23)21-9-4-3-5-14(21)2)6-7-17(13)20-18(22)16-8-10-26(24,25)12-16/h6-7,11,14,16H,3-5,8-10,12H2,1-2H3,(H,20,22)/t14-,16-/m0/s1.
What are the key properties of (3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide?
(3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 378.49 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 95279539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).