N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide

C27H27N3O4S — CID 24985915

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)s1
InChIInChI=1S/C27H27N3O4S/c1-17-2-3-20(25(31)28-21-8-9-21)16-22(17)29-26(32)24-11-10-23(35-24)18-4-6-19(7-5-18)27(33)30-12-14-34-15-13-30/h2-7,10-11,16,21H,8-9,12-15H2,1H3,(H,28,31)(H,29,32)
InChIKeyHTFVITLDAZUSJX-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.34
Rot. Bonds6

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 24985915) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID24985915
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)s1
InChIInChI=1S/C27H27N3O4S/c1-17-2-3-20(25(31)28-21-8-9-21)16-22(17)29-26(32)24-11-10-23(35-24)18-4-6-19(7-5-18)27(33)30-12-14-34-15-13-30/h2-7,10-11,16,21H,8-9,12-15H2,1H3,(H,28,31)(H,29,32)
InChIKeyHTFVITLDAZUSJX-UHFFFAOYSA-N
XLogP4.34
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Chlorophenyl)-N-[5-(Cyclopropylcarbamoyl)-2-Methylphenyl]thiophene-2-Carboxamide
CID 24985573
N-[3-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8197605
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9074003
N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 151826414
SARS-CoV-2 PLpro Inhibitor, 69
CID 156907314
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 71714379
N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155566355
4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 3902828
N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9266297
N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 7446712
N-{2-[4-(Methylsulfanyl)phenyl]ethyl}-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
CID 20855297
CID 122196547
CID 122196547

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide (CID 24985915) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)s1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is HTFVITLDAZUSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-17-2-3-20(25(31)28-21-8-9-21)16-22(17)29-26(32)24-11-10-23(35-24)18-4-6-19(7-5-18)27(33)30-12-14-34-15-13-30/h2-7,10-11,16,21H,8-9,12-15H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 489.60 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 24985915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).