trans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide

C18H26N2O4S — CID 167767814

IUPACtrans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2C[C@H]2C(C)C)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H26N2O4S/c1-12(2)14-11-15(14)18(21)19-13-6-7-16(24-3)17(10-13)25(22,23)20-8-4-5-9-20/h6-7,10,12,14-15H,4-5,8-9,11H2,1-3H3,(H,19,21)/t14-,15+/m0/s1
InChIKeyVOCNZYZSXDDOSW-LSDHHAIUSA-N
MW366.48 g/mol
LogP2.71
Rot. Bonds6

About trans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide

trans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 167767814) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is trans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide
PubChem CID167767814
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Nametrans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2C[C@H]2C(C)C)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H26N2O4S/c1-12(2)14-11-15(14)18(21)19-13-6-7-16(24-3)17(10-13)25(22,23)20-8-4-5-9-20/h6-7,10,12,14-15H,4-5,8-9,11H2,1-3H3,(H,19,21)/t14-,15+/m0/s1
InChIKeyVOCNZYZSXDDOSW-LSDHHAIUSA-N
XLogP2.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 38010763
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea
CID 4803267
1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55630523
(4S)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide
CID 52533355
(3S)-1-(benzenesulfonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100660535
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide
CID 6212937
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 46510491
2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 96533708

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide (CID 167767814) is trans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide is COc1ccc(NC(=O)[C@@H]2C[C@H]2C(C)C)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of trans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is VOCNZYZSXDDOSW-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-12(2)14-11-15(14)18(21)19-13-6-7-16(24-3)17(10-13)25(22,23)20-8-4-5-9-20/h6-7,10,12,14-15H,4-5,8-9,11H2,1-3H3,(H,19,21)/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide?
trans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 167767814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).