N-[2-chloro-5-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]phenyl]thiophene-2-carboxamide

C24H24ClN3O3S — CID 43057563

IUPACN-[2-chloro-5-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H24ClN3O3S/c25-19-9-8-18(15-20(19)27-24(30)22-7-4-14-32-22)23(29)26-16-21(17-5-2-1-3-6-17)28-10-12-31-13-11-28/h1-9,14-15,21H,10-13,16H2,(H,26,29)(H,27,30)
InChIKeyRPDBAHVAXBIACV-UHFFFAOYSA-N
MW469.99 g/mol
LogP4.46
Rot. Bonds7

About N-[2-chloro-5-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 43057563) has the molecular formula C24H24ClN3O3S and a molecular weight of 469.99 g/mol. Its IUPAC name is N-[2-chloro-5-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID43057563
Molecular FormulaC24H24ClN3O3S
Molecular Weight469.99 g/mol
Exact Mass469.12
IUPAC NameN-[2-chloro-5-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H24ClN3O3S/c25-19-9-8-18(15-20(19)27-24(30)22-7-4-14-32-22)23(29)26-16-21(17-5-2-1-3-6-17)28-10-12-31-13-11-28/h1-9,14-15,21H,10-13,16H2,(H,26,29)(H,27,30)
InChIKeyRPDBAHVAXBIACV-UHFFFAOYSA-N
XLogP4.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.99
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 31429464
N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120827309
3,4-dichloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931704
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 47081662
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 16931706
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455
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CID 119447731
N-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42907184
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 7285718
2,4-dichloro-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 46578639
3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride
CID 119853244
N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 43057563) is N-[2-chloro-5-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]phenyl]thiophene-2-carboxamide is O=C(NCC(c1ccccc1)N1CCOCC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-chloro-5-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is RPDBAHVAXBIACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3S/c25-19-9-8-18(15-20(19)27-24(30)22-7-4-14-32-22)23(29)26-16-21(17-5-2-1-3-6-17)28-10-12-31-13-11-28/h1-9,14-15,21H,10-13,16H2,(H,26,29)(H,27,30).
What are the key properties of N-[2-chloro-5-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 469.99 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 43057563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).