N-carbamoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide

C12H17N3O2S — CID 62840152

IUPACN-carbamoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
SMILESCC(NC1CCCc2sccc21)C(=O)NC(N)=O
InChIInChI=1S/C12H17N3O2S/c1-7(11(16)15-12(13)17)14-9-3-2-4-10-8(9)5-6-18-10/h5-7,9,14H,2-4H2,1H3,(H3,13,15,16,17)
InChIKeyPOXMDFDQPRPKLM-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.30
Rot. Bonds3

About N-carbamoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide

N-carbamoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide (PubChem CID 62840152) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-carbamoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
PubChem CID62840152
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-carbamoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
SMILESCC(NC1CCCc2sccc21)C(=O)NC(N)=O
InChIInChI=1S/C12H17N3O2S/c1-7(11(16)15-12(13)17)14-9-3-2-4-10-8(9)5-6-18-10/h5-7,9,14H,2-4H2,1H3,(H3,13,15,16,17)
InChIKeyPOXMDFDQPRPKLM-UHFFFAOYSA-N
XLogP1.30
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide?
The IUPAC name of N-carbamoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide (CID 62840152) is N-carbamoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide.
What is the SMILES notation for N-carbamoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide?
The canonical SMILES for N-carbamoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide is CC(NC1CCCc2sccc21)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide?
The InChIKey is POXMDFDQPRPKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-7(11(16)15-12(13)17)14-9-3-2-4-10-8(9)5-6-18-10/h5-7,9,14H,2-4H2,1H3,(H3,13,15,16,17).
What are the key properties of N-carbamoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide?
N-carbamoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide has a molecular weight of 267.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide is sourced from PubChem (CID 62840152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).