N-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide

C22H22N4O3S — CID 29320346

IUPACN-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C22H22N4O3S/c27-21(17-4-6-18(7-5-17)25-22(28)19-2-1-13-30-19)24-15-16-3-8-20(23-14-16)26-9-11-29-12-10-26/h1-8,13-14H,9-12,15H2,(H,24,27)(H,25,28)
InChIKeySXSBRTQIZXADAS-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.16
Rot. Bonds6

About N-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 29320346) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID29320346
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C22H22N4O3S/c27-21(17-4-6-18(7-5-17)25-22(28)19-2-1-13-30-19)24-15-16-3-8-20(23-14-16)26-9-11-29-12-10-26/h1-8,13-14H,9-12,15H2,(H,24,27)(H,25,28)
InChIKeySXSBRTQIZXADAS-UHFFFAOYSA-N
XLogP3.16
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42932311
4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 30354650
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 16602299
4-fluoro-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 17469565
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25473941
N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 24682821
N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 43046396
N-(4-iodophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17489612
N-[[4-(difluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 166216056

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 29320346) is N-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide is O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is SXSBRTQIZXADAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c27-21(17-4-6-18(7-5-17)25-22(28)19-2-1-13-30-19)24-15-16-3-8-20(23-14-16)26-9-11-29-12-10-26/h1-8,13-14H,9-12,15H2,(H,24,27)(H,25,28).
What are the key properties of N-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 29320346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).