N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide

C20H24N4O2S — CID 127300730

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NC2CCN3CCCCC23)s1
InChIInChI=1S/C20H24N4O2S/c25-19(22-15-11-13-24-12-5-4-8-16(15)24)17-9-10-18(27-17)23-20(26)21-14-6-2-1-3-7-14/h1-3,6-7,9-10,15-16H,4-5,8,11-13H2,(H,22,25)(H2,21,23,26)
InChIKeyCNIAODYSDKNLNN-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.75
Rot. Bonds4

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide (PubChem CID 127300730) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
PubChem CID127300730
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NC2CCN3CCCCC23)s1
InChIInChI=1S/C20H24N4O2S/c25-19(22-15-11-13-24-12-5-4-8-16(15)24)17-9-10-18(27-17)23-20(26)21-14-6-2-1-3-7-14/h1-3,6-7,9-10,15-16H,4-5,8,11-13H2,(H,22,25)(H2,21,23,26)
InChIKeyCNIAODYSDKNLNN-UHFFFAOYSA-N
XLogP3.75
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride
CID 119387776
N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850266
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)benzoic acid
CID 60941055
5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
CID 78885519
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea
CID 78891490
1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea
CID 119374573
5-(phenylcarbamoylamino)-N-[(1-phenylcyclopropyl)methyl]thiophene-2-carboxamide
CID 78849767
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849662
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78852434
5-(phenylcarbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 78849648
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 94867260
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)naphthalene-2-carboxamide
CID 75414949

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide (CID 127300730) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide is O=C(Nc1ccccc1)Nc1ccc(C(=O)NC2CCN3CCCCC23)s1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The InChIKey is CNIAODYSDKNLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c25-19(22-15-11-13-24-12-5-4-8-16(15)24)17-9-10-18(27-17)23-20(26)21-14-6-2-1-3-7-14/h1-3,6-7,9-10,15-16H,4-5,8,11-13H2,(H,22,25)(H2,21,23,26).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide is sourced from PubChem (CID 127300730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).