N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C27H29N3O4S — CID 46385825

IUPACN-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C27H29N3O4S/c31-27(28-24-9-11-25(12-10-24)29-17-19-34-20-18-29)23-5-3-21(4-6-23)22-7-13-26(14-8-22)35(32,33)30-15-1-2-16-30/h3-14H,1-2,15-20H2,(H,28,31)
InChIKeyRZUDTYSIXHOCII-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.23
Rot. Bonds6

About N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 46385825) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID46385825
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC NameN-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C27H29N3O4S/c31-27(28-24-9-11-25(12-10-24)29-17-19-34-20-18-29)23-5-3-21(4-6-23)22-7-13-26(14-8-22)35(32,33)30-15-1-2-16-30/h3-14H,1-2,15-20H2,(H,28,31)
InChIKeyRZUDTYSIXHOCII-UHFFFAOYSA-N
XLogP4.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide 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

4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
4-(4-methylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269172
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385831
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9033710
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 3909763
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 126320858
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 46385825) is N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is RZUDTYSIXHOCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c31-27(28-24-9-11-25(12-10-24)29-17-19-34-20-18-29)23-5-3-21(4-6-23)22-7-13-26(14-8-22)35(32,33)30-15-1-2-16-30/h3-14H,1-2,15-20H2,(H,28,31).
What are the key properties of N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 491.61 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 46385825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).