N-methyl-6-morpholin-4-ylsulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-chromene-4-carboxamide

C27H35N3O5S — CID 143014488

IUPACN-methyl-6-morpholin-4-ylsulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCN(C(=O)C1CCOc2ccc(S(=O)(=O)N3CCOCC3)cc21)C(CN1CCCC1)c1ccccc1
InChIInChI=1S/C27H35N3O5S/c1-28(25(20-29-12-5-6-13-29)21-7-3-2-4-8-21)27(31)23-11-16-35-26-10-9-22(19-24(23)26)36(32,33)30-14-17-34-18-15-30/h2-4,7-10,19,23,25H,5-6,11-18,20H2,1H3
InChIKeyIYORTDNCQRAHKO-UHFFFAOYSA-N
MW513.66 g/mol
LogP2.87
Rot. Bonds7

About N-methyl-6-morpholin-4-ylsulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-chromene-4-carboxamide

N-methyl-6-morpholin-4-ylsulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 143014488) has the molecular formula C27H35N3O5S and a molecular weight of 513.66 g/mol. Its IUPAC name is N-methyl-6-morpholin-4-ylsulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-methyl-6-morpholin-4-ylsulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID143014488
Molecular FormulaC27H35N3O5S
Molecular Weight513.66 g/mol
Exact Mass513.23
IUPAC NameN-methyl-6-morpholin-4-ylsulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCN(C(=O)C1CCOc2ccc(S(=O)(=O)N3CCOCC3)cc21)C(CN1CCCC1)c1ccccc1
InChIInChI=1S/C27H35N3O5S/c1-28(25(20-29-12-5-6-13-29)21-7-3-2-4-8-21)27(31)23-11-16-35-26-10-9-22(19-24(23)26)36(32,33)30-14-17-34-18-15-30/h2-4,7-10,19,23,25H,5-6,11-18,20H2,1H3
InChIKeyIYORTDNCQRAHKO-UHFFFAOYSA-N
XLogP2.87
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.66
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 143014508
(2S)-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 23567132
N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-9H-xanthene-9-carboxamide
CID 67673330
N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2458310
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 41202197
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 8936210
6-(dimethylaminosulfanyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 143014493
4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31397272
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 16561402
5-(dimethylsulfamoyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 22177137
N-methyl-2-phenyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 86268656
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-morpholin-4-ylsulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-methyl-6-morpholin-4-ylsulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 143014488) is N-methyl-6-morpholin-4-ylsulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-methyl-6-morpholin-4-ylsulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-methyl-6-morpholin-4-ylsulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-chromene-4-carboxamide is CN(C(=O)C1CCOc2ccc(S(=O)(=O)N3CCOCC3)cc21)C(CN1CCCC1)c1ccccc1.
What is the InChIKey of N-methyl-6-morpholin-4-ylsulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is IYORTDNCQRAHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O5S/c1-28(25(20-29-12-5-6-13-29)21-7-3-2-4-8-21)27(31)23-11-16-35-26-10-9-22(19-24(23)26)36(32,33)30-14-17-34-18-15-30/h2-4,7-10,19,23,25H,5-6,11-18,20H2,1H3.
What are the key properties of N-methyl-6-morpholin-4-ylsulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
N-methyl-6-morpholin-4-ylsulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 513.66 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-morpholin-4-ylsulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 143014488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).