N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C20H25Cl2N3O4S — CID 3969066

IUPACN-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCOCCN(CC(=O)N(Cc1cccn1C)C1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H25Cl2N3O4S/c1-23-9-3-4-17(23)13-25(16-6-7-16)20(26)14-24(10-11-29-2)30(27,28)19-12-15(21)5-8-18(19)22/h3-5,8-9,12,16H,6-7,10-11,13-14H2,1-2H3
InChIKeyRROHMEZARDALOG-UHFFFAOYSA-N
MW474.41 g/mol
LogP3.16
Rot. Bonds10

About N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3969066) has the molecular formula C20H25Cl2N3O4S and a molecular weight of 474.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID3969066
Molecular FormulaC20H25Cl2N3O4S
Molecular Weight474.41 g/mol
Exact Mass473.09
IUPAC NameN-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCOCCN(CC(=O)N(Cc1cccn1C)C1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H25Cl2N3O4S/c1-23-9-3-4-17(23)13-25(16-6-7-16)20(26)14-24(10-11-29-2)30(27,28)19-12-15(21)5-8-18(19)22/h3-5,8-9,12,16H,6-7,10-11,13-14H2,1-2H3
InChIKeyRROHMEZARDALOG-UHFFFAOYSA-N
XLogP3.16
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(2-methoxyethyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3948115
3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 4212133
2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3902809
N-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4273329
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 5222345
2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3940847
2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 42705137
2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 42759766
(2R)-2-chloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide
CID 7216924
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 4237806
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]acetamide
CID 4562624
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 42767866

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3969066) is N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is COCCN(CC(=O)N(Cc1cccn1C)C1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is RROHMEZARDALOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3O4S/c1-23-9-3-4-17(23)13-25(16-6-7-16)20(26)14-24(10-11-29-2)30(27,28)19-12-15(21)5-8-18(19)22/h3-5,8-9,12,16H,6-7,10-11,13-14H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 474.41 g/mol, XLogP of 3.16, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3969066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).