N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide

C23H29ClN4O4S — CID 55345467

IUPACN-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide
SMILESO=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN4O4S/c24-19-5-3-18(4-6-19)16-26-23(29)17-25-21-15-20(7-8-22(21)27-9-1-2-10-27)33(30,31)28-11-13-32-14-12-28/h3-8,15,25H,1-2,9-14,16-17H2,(H,26,29)
InChIKeyCLPDJVYPGPNKMK-UHFFFAOYSA-N
MW493.03 g/mol
LogP2.69
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide

N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide (PubChem CID 55345467) has the molecular formula C23H29ClN4O4S and a molecular weight of 493.03 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide
PubChem CID55345467
Molecular FormulaC23H29ClN4O4S
Molecular Weight493.03 g/mol
Exact Mass492.16
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide
SMILESO=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN4O4S/c24-19-5-3-18(4-6-19)16-26-23(29)17-25-21-15-20(7-8-22(21)27-9-1-2-10-27)33(30,31)28-11-13-32-14-12-28/h3-8,15,25H,1-2,9-14,16-17H2,(H,26,29)
InChIKeyCLPDJVYPGPNKMK-UHFFFAOYSA-N
XLogP2.69
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.03
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 5129808
methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate
CID 55463879
2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29463616
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
N-(2,5-difluorophenyl)-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 55346752
1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone
CID 55346848
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide
CID 29327873
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)ethanone
CID 55345468
1-ethyl-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiourea
CID 4829989
2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 16546072
N-(2-methylcyclohexyl)-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 55346771

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide (CID 55345467) is N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide is O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide?
The InChIKey is CLPDJVYPGPNKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O4S/c24-19-5-3-18(4-6-19)16-26-23(29)17-25-21-15-20(7-8-22(21)27-9-1-2-10-27)33(30,31)28-11-13-32-14-12-28/h3-8,15,25H,1-2,9-14,16-17H2,(H,26,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide?
N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide has a molecular weight of 493.03 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide is sourced from PubChem (CID 55345467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).