2-(carbamoylamino)-5-[4-(morpholine-4-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide

C22H27N5O4S — CID 44560670

IUPAC2-(carbamoylamino)-5-[4-(morpholine-4-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C22H27N5O4S/c23-22(30)26-20-17(19(28)25-16-2-1-7-24-13-16)12-18(32-20)14-3-5-15(6-4-14)21(29)27-8-10-31-11-9-27/h3-6,12,16,24H,1-2,7-11,13H2,(H,25,28)(H3,23,26,30)/t16-/m0/s1
InChIKeyVNGCBJHJMMHMOG-INIZCTEOSA-N
MW457.56 g/mol
LogP1.86
Rot. Bonds5

About 2-(carbamoylamino)-5-[4-(morpholine-4-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide

2-(carbamoylamino)-5-[4-(morpholine-4-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (PubChem CID 44560670) has the molecular formula C22H27N5O4S and a molecular weight of 457.56 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[4-(morpholine-4-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[4-(morpholine-4-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
PubChem CID44560670
Molecular FormulaC22H27N5O4S
Molecular Weight457.56 g/mol
Exact Mass457.18
IUPAC Name2-(carbamoylamino)-5-[4-(morpholine-4-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C22H27N5O4S/c23-22(30)26-20-17(19(28)25-16-2-1-7-24-13-16)12-18(32-20)14-3-5-15(6-4-14)21(29)27-8-10-31-11-9-27/h3-6,12,16,24H,1-2,7-11,13H2,(H,25,28)(H3,23,26,30)/t16-/m0/s1
InChIKeyVNGCBJHJMMHMOG-INIZCTEOSA-N
XLogP1.86
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[4-(morpholine-4-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[4-(morpholine-4-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (CID 44560670) is 2-(carbamoylamino)-5-[4-(morpholine-4-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[4-(morpholine-4-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[4-(morpholine-4-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is NC(=O)Nc1sc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1C(=O)N[C@H]1CCCNC1.
What is the InChIKey of 2-(carbamoylamino)-5-[4-(morpholine-4-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The InChIKey is VNGCBJHJMMHMOG-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27N5O4S/c23-22(30)26-20-17(19(28)25-16-2-1-7-24-13-16)12-18(32-20)14-3-5-15(6-4-14)21(29)27-8-10-31-11-9-27/h3-6,12,16,24H,1-2,7-11,13H2,(H,25,28)(H3,23,26,30)/t16-/m0/s1.
What are the key properties of 2-(carbamoylamino)-5-[4-(morpholine-4-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[4-(morpholine-4-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 1.86, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[4-(morpholine-4-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 44560670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).