2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-pyrrolidin-3-ylthiophene-3-carboxamide

C22H31N5O3S — CID 11517939

IUPAC2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-pyrrolidin-3-ylthiophene-3-carboxamide
SMILESCCN(CC)CCOc1ccc(-c2cc(C(=O)NC3CCNC3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C22H31N5O3S/c1-3-27(4-2)11-12-30-17-7-5-15(6-8-17)19-13-18(21(31-19)26-22(23)29)20(28)25-16-9-10-24-14-16/h5-8,13,16,24H,3-4,9-12,14H2,1-2H3,(H,25,28)(H3,23,26,29)
InChIKeyVGSZOTPVMSLYQF-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.72
Rot. Bonds10

About 2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-pyrrolidin-3-ylthiophene-3-carboxamide

2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-pyrrolidin-3-ylthiophene-3-carboxamide (PubChem CID 11517939) has the molecular formula C22H31N5O3S and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-pyrrolidin-3-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-pyrrolidin-3-ylthiophene-3-carboxamide
PubChem CID11517939
Molecular FormulaC22H31N5O3S
Molecular Weight445.59 g/mol
Exact Mass445.21
IUPAC Name2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-pyrrolidin-3-ylthiophene-3-carboxamide
SMILESCCN(CC)CCOc1ccc(-c2cc(C(=O)NC3CCNC3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C22H31N5O3S/c1-3-27(4-2)11-12-30-17-7-5-15(6-8-17)19-13-18(21(31-19)26-22(23)29)20(28)25-16-9-10-24-14-16/h5-8,13,16,24H,3-4,9-12,14H2,1-2H3,(H,25,28)(H3,23,26,29)
InChIKeyVGSZOTPVMSLYQF-UHFFFAOYSA-N
XLogP2.72
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-pyrrolidin-3-ylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(2-Dimethylaminoethyloxy)phenyl]-2-Ureido-Thiophene-3-Carboxamide
CID 9902908
N-[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]-2-(1-pyrrolidinyl)acetamide
CID 2814375
N-[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-(4-methyl-1-piperazinyl)acetamide
CID 2814376
3-ThiophenecarboxaMide, 2-[(aMinocarbonyl)aMino]-5-[2-[2-[Methyl(phenylMethyl)aMino]ethoxy]phenyl]-
CID 9954114
1-(3-Carbamoyl-5-(4-(2-(piperidin-1-yl)ethoxy)phenyl)thiophen-2-yl)urea
CID 10221890
1-(5-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11518244
1-(5-(4-(2-(Diethylamino)ethoxy)phenyl)-3-((3-(hydroxymethyl)phenyl)carbamoyl)thiophen-2-yl)urea
CID 11547522
1-(5-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(piperidin-4-ylcarbamoyl)thiophen-2-yl)urea
CID 11662575
(+/-)-1-(5-(3-(2-(Diethylamino)ethoxy)phenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11676957
1-(5-(4-((4-Methoxybenzylamino)methyl)phenyl)-3-carbamoylthiophen-2-yl)urea
CID 44560808
N-[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]-2-piperidinoacetamide
CID 2814368
1-(3-Carbamoyl-5-(4-(2-(2-methoxyethoxy)ethoxy)phenyl)thiophen-2-yl)urea
CID 10134310

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-pyrrolidin-3-ylthiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-pyrrolidin-3-ylthiophene-3-carboxamide (CID 11517939) is 2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-pyrrolidin-3-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-pyrrolidin-3-ylthiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-pyrrolidin-3-ylthiophene-3-carboxamide is CCN(CC)CCOc1ccc(-c2cc(C(=O)NC3CCNC3)c(NC(N)=O)s2)cc1.
What is the InChIKey of 2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-pyrrolidin-3-ylthiophene-3-carboxamide?
The InChIKey is VGSZOTPVMSLYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3S/c1-3-27(4-2)11-12-30-17-7-5-15(6-8-17)19-13-18(21(31-19)26-22(23)29)20(28)25-16-9-10-24-14-16/h5-8,13,16,24H,3-4,9-12,14H2,1-2H3,(H,25,28)(H3,23,26,29).
What are the key properties of 2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-pyrrolidin-3-ylthiophene-3-carboxamide?
2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-pyrrolidin-3-ylthiophene-3-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 2.72, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-pyrrolidin-3-ylthiophene-3-carboxamide is sourced from PubChem (CID 11517939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).