N-cyclopropyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C24H37N3O4S — CID 5032587

IUPACN-cyclopropyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCN(CC(=O)N(Cc1cccn1C)C1CC1)S(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C24H37N3O4S/c1-5-12-26(16-22(29)27(19-8-9-19)15-20-7-6-13-25(20)4)32(30,31)17-24-11-10-18(14-21(24)28)23(24,2)3/h6-7,13,18-19H,5,8-12,14-17H2,1-4H3
InChIKeyAYEOYJSMRXMHFE-UHFFFAOYSA-N
MW463.64 g/mol
LogP2.95
Rot. Bonds10

About N-cyclopropyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

N-cyclopropyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 5032587) has the molecular formula C24H37N3O4S and a molecular weight of 463.64 g/mol. Its IUPAC name is N-cyclopropyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID5032587
Molecular FormulaC24H37N3O4S
Molecular Weight463.64 g/mol
Exact Mass463.25
IUPAC NameN-cyclopropyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCN(CC(=O)N(Cc1cccn1C)C1CC1)S(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C24H37N3O4S/c1-5-12-26(16-22(29)27(19-8-9-19)15-20-7-6-13-25(20)4)32(30,31)17-24-11-10-18(14-21(24)28)23(24,2)3/h6-7,13,18-19H,5,8-12,14-17H2,1-4H3
InChIKeyAYEOYJSMRXMHFE-UHFFFAOYSA-N
XLogP2.95
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.64
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide 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

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N,N-dipropylmethanesulfonamide
CID 4628525
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-(3-ethoxypropyl)amino]acetamide
CID 4648108
2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3940847
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5002955
N-benzyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-(2-methylpropyl)amino]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 5037172
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide
CID 4041529
[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium
CID 7261327
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 811191
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3948115
N-benzyl-N-but-3-enyl-1-[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 174305040
1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-methyl-N-phenylmethanesulfonamide
CID 6546468
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 72717976

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 5032587) is N-cyclopropyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCCN(CC(=O)N(Cc1cccn1C)C1CC1)S(=O)(=O)CC12CCC(CC1=O)C2(C)C.
What is the InChIKey of N-cyclopropyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is AYEOYJSMRXMHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4S/c1-5-12-26(16-22(29)27(19-8-9-19)15-20-7-6-13-25(20)4)32(30,31)17-24-11-10-18(14-21(24)28)23(24,2)3/h6-7,13,18-19H,5,8-12,14-17H2,1-4H3.
What are the key properties of N-cyclopropyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
N-cyclopropyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 463.64 g/mol, XLogP of 2.95, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 5032587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).