N-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide

C24H19N3O3S2 — CID 17104933

IUPACN-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=S)NC(=O)c2ccc3ccccc3c2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C24H19N3O3S2/c1-30-20-14-18(10-11-19(20)26-23(29)21-7-4-12-32-21)25-24(31)27-22(28)17-9-8-15-5-2-3-6-16(15)13-17/h2-14H,1H3,(H,26,29)(H2,25,27,28,31)
InChIKeyWKXMGMOXEHXLDX-UHFFFAOYSA-N
MW461.57 g/mol
LogP5.29
Rot. Bonds5

About N-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide

N-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide (PubChem CID 17104933) has the molecular formula C24H19N3O3S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide
PubChem CID17104933
Molecular FormulaC24H19N3O3S2
Molecular Weight461.57 g/mol
Exact Mass461.09
IUPAC NameN-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=S)NC(=O)c2ccc3ccccc3c2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C24H19N3O3S2/c1-30-20-14-18(10-11-19(20)26-23(29)21-7-4-12-32-21)25-24(31)27-22(28)17-9-8-15-5-2-3-6-16(15)13-17/h2-14H,1H3,(H,26,29)(H2,25,27,28,31)
InChIKeyWKXMGMOXEHXLDX-UHFFFAOYSA-N
XLogP5.29
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methoxy-4-[(3-methylbenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 22778332
N-[2-methoxy-4-[(2-methoxy-3-methylbenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 17104937
N-[4-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 2279231
N-[4-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 17317061
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 2901650
N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 3161512
N-[4-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 3143413
N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide
CID 30309153
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 1258183
N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 92944479
N-[3-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1334806

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide (CID 17104933) is N-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide is COc1cc(NC(=S)NC(=O)c2ccc3ccccc3c2)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is WKXMGMOXEHXLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S2/c1-30-20-14-18(10-11-19(20)26-23(29)21-7-4-12-32-21)25-24(31)27-22(28)17-9-8-15-5-2-3-6-16(15)13-17/h2-14H,1H3,(H,26,29)(H2,25,27,28,31).
What are the key properties of N-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide?
N-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 5.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 17104933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).