3-(cyclopropanecarbonylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]naphthalene-2-carboxamide

C22H22N2O2S2 — CID 24595739

IUPAC3-(cyclopropanecarbonylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCSCc1cccs1)c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C22H22N2O2S2/c25-21(15-7-8-15)24-20-13-17-5-2-1-4-16(17)12-19(20)22(26)23-9-11-27-14-18-6-3-10-28-18/h1-6,10,12-13,15H,7-9,11,14H2,(H,23,26)(H,24,25)
InChIKeySISDGRUDPWRLPN-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.91
Rot. Bonds8

About 3-(cyclopropanecarbonylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]naphthalene-2-carboxamide

3-(cyclopropanecarbonylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]naphthalene-2-carboxamide (PubChem CID 24595739) has the molecular formula C22H22N2O2S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]naphthalene-2-carboxamide
PubChem CID24595739
Molecular FormulaC22H22N2O2S2
Molecular Weight410.56 g/mol
Exact Mass410.11
IUPAC Name3-(cyclopropanecarbonylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCSCc1cccs1)c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C22H22N2O2S2/c25-21(15-7-8-15)24-20-13-17-5-2-1-4-16(17)12-19(20)22(26)23-9-11-27-14-18-6-3-10-28-18/h1-6,10,12-13,15H,7-9,11,14H2,(H,23,26)(H,24,25)
InChIKeySISDGRUDPWRLPN-UHFFFAOYSA-N
XLogP4.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropanecarbonylamino)-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]naphthalene-2-carboxamide
CID 55429615
3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide
CID 24595212
2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46819854
3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide
CID 110886656
3-(cyclopropanecarbonylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)naphthalene-2-carboxamide
CID 25430851
3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate
CID 7131661
2-(difluoromethoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46516746
3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide
CID 166393096
[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] naphthalene-2-carboxylate
CID 8866315
1-(pyrrolidine-1-carbonyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide
CID 47030902
3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide
CID 47012254
3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide
CID 30889082

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]naphthalene-2-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]naphthalene-2-carboxamide (CID 24595739) is 3-(cyclopropanecarbonylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]naphthalene-2-carboxamide is O=C(NCCSCc1cccs1)c1cc2ccccc2cc1NC(=O)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]naphthalene-2-carboxamide?
The InChIKey is SISDGRUDPWRLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S2/c25-21(15-7-8-15)24-20-13-17-5-2-1-4-16(17)12-19(20)22(26)23-9-11-27-14-18-6-3-10-28-18/h1-6,10,12-13,15H,7-9,11,14H2,(H,23,26)(H,24,25).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]naphthalene-2-carboxamide?
3-(cyclopropanecarbonylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]naphthalene-2-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 24595739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).