N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide

C20H15N3O4S3 — CID 24665030

IUPACN-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide
SMILESO=C(NNC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1)c1cccs1
InChIInChI=1S/C20H15N3O4S3/c24-19(21-22-20(25)17-7-3-9-28-17)15-11-13-5-1-2-6-14(13)12-16(15)23-30(26,27)18-8-4-10-29-18/h1-12,23H,(H,21,24)(H,22,25)
InChIKeyYGRLVRCAXSVRCU-UHFFFAOYSA-N
MW457.56 g/mol
LogP3.84
Rot. Bonds5

About N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide

N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide (PubChem CID 24665030) has the molecular formula C20H15N3O4S3 and a molecular weight of 457.56 g/mol. Its IUPAC name is N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide
PubChem CID24665030
Molecular FormulaC20H15N3O4S3
Molecular Weight457.56 g/mol
Exact Mass457.02
IUPAC NameN-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide
SMILESO=C(NNC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1)c1cccs1
InChIInChI=1S/C20H15N3O4S3/c24-19(21-22-20(25)17-7-3-9-28-17)15-11-13-5-1-2-6-14(13)12-16(15)23-30(26,27)18-8-4-10-29-18/h1-12,23H,(H,21,24)(H,22,25)
InChIKeyYGRLVRCAXSVRCU-UHFFFAOYSA-N
XLogP3.84
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide (CID 24665030) is N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide is O=C(NNC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1)c1cccs1.
What is the InChIKey of N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide?
The InChIKey is YGRLVRCAXSVRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4S3/c24-19(21-22-20(25)17-7-3-9-28-17)15-11-13-5-1-2-6-14(13)12-16(15)23-30(26,27)18-8-4-10-29-18/h1-12,23H,(H,21,24)(H,22,25).
What are the key properties of N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide?
N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide has a molecular weight of 457.56 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 24665030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).