(2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide

C14H20N2O4S — CID 97001011

IUPAC(2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCc2occc21
InChIInChI=1S/C14H20N2O4S/c1-21(18,19)16-8-3-5-12(16)14(17)15-11-4-2-6-13-10(11)7-9-20-13/h7,9,11-12H,2-6,8H2,1H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyIMZYFDATMFZCFP-VXGBXAGGSA-N
MW312.39 g/mol
LogP1.20
Rot. Bonds3

About (2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide

(2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide (PubChem CID 97001011) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is (2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide
PubChem CID97001011
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name(2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCc2occc21
InChIInChI=1S/C14H20N2O4S/c1-21(18,19)16-8-3-5-12(16)14(17)15-11-4-2-6-13-10(11)7-9-20-13/h7,9,11-12H,2-6,8H2,1H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyIMZYFDATMFZCFP-VXGBXAGGSA-N
XLogP1.20
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide
CID 78898005
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672796
(2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 61274318
N-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]methanesulfonamide
CID 113315133
1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide
CID 95274864
2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 79287688
1-ethyl-1-[(2S)-1-methylsulfonylpropan-2-yl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 97213116
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)azepane-1-sulfonamide
CID 55571263
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide
CID 64990494
2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide
CID 95383153
1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
CID 51240613
2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 71942327

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide (CID 97001011) is (2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide is CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCc2occc21.
What is the InChIKey of (2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is IMZYFDATMFZCFP-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-21(18,19)16-8-3-5-12(16)14(17)15-11-4-2-6-13-10(11)7-9-20-13/h7,9,11-12H,2-6,8H2,1H3,(H,15,17)/t11-,12-/m1/s1.
What are the key properties of (2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide?
(2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 97001011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).