N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide

C21H19ClN2O4S2 — CID 53101450

IUPACN-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C21H19ClN2O4S2/c22-17-5-7-18(8-6-17)23-21(25)16-3-1-15(2-4-16)19-9-10-20(29-19)30(26,27)24-11-13-28-14-12-24/h1-10H,11-14H2,(H,23,25)
InChIKeyWKBURIGQINHNOO-UHFFFAOYSA-N
MW462.98 g/mol
LogP4.34
Rot. Bonds5

About N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide

N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide (PubChem CID 53101450) has the molecular formula C21H19ClN2O4S2 and a molecular weight of 462.98 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
PubChem CID53101450
Molecular FormulaC21H19ClN2O4S2
Molecular Weight462.98 g/mol
Exact Mass462.05
IUPAC NameN-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C21H19ClN2O4S2/c22-17-5-7-18(8-6-17)23-21(25)16-3-1-15(2-4-16)19-9-10-20(29-19)30(26,27)24-11-13-28-14-12-24/h1-10H,11-14H2,(H,23,25)
InChIKeyWKBURIGQINHNOO-UHFFFAOYSA-N
XLogP4.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101444
N-(1,3-benzodioxol-5-yl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101425
N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101574
N-(3-chloro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101559
N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101562
N-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082109
N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101455
N-[(4-chlorophenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101368
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101507
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4877854
N-(4-fluorophenyl)-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101514

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide (CID 53101450) is N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide is O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The InChIKey is WKBURIGQINHNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S2/c22-17-5-7-18(8-6-17)23-21(25)16-3-1-15(2-4-16)19-9-10-20(29-19)30(26,27)24-11-13-28-14-12-24/h1-10H,11-14H2,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide has a molecular weight of 462.98 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide is sourced from PubChem (CID 53101450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).