2-(carbamoylamino)-5-[4-(2-piperidin-1-ylethoxy)phenyl]thiophene-3-carboxamide

C19H24N4O3S — CID 10221890

IUPAC2-(carbamoylamino)-5-[4-(2-piperidin-1-ylethoxy)phenyl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(OCCN3CCCCC3)cc2)cc1C(N)=O
InChIInChI=1S/C19H24N4O3S/c20-17(24)15-12-16(27-18(15)22-19(21)25)13-4-6-14(7-5-13)26-11-10-23-8-2-1-3-9-23/h4-7,12H,1-3,8-11H2,(H2,20,24)(H3,21,22,25)
InChIKeySCBVWSFCSHHZTA-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.87
Rot. Bonds7

About 2-(carbamoylamino)-5-[4-(2-piperidin-1-ylethoxy)phenyl]thiophene-3-carboxamide

2-(carbamoylamino)-5-[4-(2-piperidin-1-ylethoxy)phenyl]thiophene-3-carboxamide (PubChem CID 10221890) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[4-(2-piperidin-1-ylethoxy)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[4-(2-piperidin-1-ylethoxy)phenyl]thiophene-3-carboxamide
PubChem CID10221890
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name2-(carbamoylamino)-5-[4-(2-piperidin-1-ylethoxy)phenyl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(OCCN3CCCCC3)cc2)cc1C(N)=O
InChIInChI=1S/C19H24N4O3S/c20-17(24)15-12-16(27-18(15)22-19(21)25)13-4-6-14(7-5-13)26-11-10-23-8-2-1-3-9-23/h4-7,12H,1-3,8-11H2,(H2,20,24)(H3,21,22,25)
InChIKeySCBVWSFCSHHZTA-UHFFFAOYSA-N
XLogP2.87
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[4-(2-piperidin-1-ylethoxy)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[4-(2-piperidin-1-ylethoxy)phenyl]thiophene-3-carboxamide (CID 10221890) is 2-(carbamoylamino)-5-[4-(2-piperidin-1-ylethoxy)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[4-(2-piperidin-1-ylethoxy)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[4-(2-piperidin-1-ylethoxy)phenyl]thiophene-3-carboxamide is NC(=O)Nc1sc(-c2ccc(OCCN3CCCCC3)cc2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-[4-(2-piperidin-1-ylethoxy)phenyl]thiophene-3-carboxamide?
The InChIKey is SCBVWSFCSHHZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c20-17(24)15-12-16(27-18(15)22-19(21)25)13-4-6-14(7-5-13)26-11-10-23-8-2-1-3-9-23/h4-7,12H,1-3,8-11H2,(H2,20,24)(H3,21,22,25).
What are the key properties of 2-(carbamoylamino)-5-[4-(2-piperidin-1-ylethoxy)phenyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[4-(2-piperidin-1-ylethoxy)phenyl]thiophene-3-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[4-(2-piperidin-1-ylethoxy)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 10221890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).