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

C18H22N4O3S — CID 10270770

IUPAC3-(carbamoylamino)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]thiophene-2-carboxamide
SMILESNC(=O)Nc1cc(-c2ccc(OCCN3CCCC3)cc2)sc1C(N)=O
InChIInChI=1S/C18H22N4O3S/c19-17(23)16-14(21-18(20)24)11-15(26-16)12-3-5-13(6-4-12)25-10-9-22-7-1-2-8-22/h3-6,11H,1-2,7-10H2,(H2,19,23)(H3,20,21,24)
InChIKeyZDQLZTAJWGOWEF-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.48
Rot. Bonds7

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

3-(carbamoylamino)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]thiophene-2-carboxamide (PubChem CID 10270770) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 3-(carbamoylamino)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(carbamoylamino)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]thiophene-2-carboxamide
PubChem CID10270770
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name3-(carbamoylamino)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]thiophene-2-carboxamide
SMILESNC(=O)Nc1cc(-c2ccc(OCCN3CCCC3)cc2)sc1C(N)=O
InChIInChI=1S/C18H22N4O3S/c19-17(23)16-14(21-18(20)24)11-15(26-16)12-3-5-13(6-4-12)25-10-9-22-7-1-2-8-22/h3-6,11H,1-2,7-10H2,(H2,19,23)(H3,20,21,24)
InChIKeyZDQLZTAJWGOWEF-UHFFFAOYSA-N
XLogP2.48
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-(carbamoylamino)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]thiophene-2-carboxamide (CID 10270770) is 3-(carbamoylamino)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(carbamoylamino)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(carbamoylamino)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]thiophene-2-carboxamide is NC(=O)Nc1cc(-c2ccc(OCCN3CCCC3)cc2)sc1C(N)=O.
What is the InChIKey of 3-(carbamoylamino)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is ZDQLZTAJWGOWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c19-17(23)16-14(21-18(20)24)11-15(26-16)12-3-5-13(6-4-12)25-10-9-22-7-1-2-8-22/h3-6,11H,1-2,7-10H2,(H2,19,23)(H3,20,21,24).
What are the key properties of 3-(carbamoylamino)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]thiophene-2-carboxamide?
3-(carbamoylamino)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 10270770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).