methyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate

C24H25N3O4S — CID 55963519

IUPACmethyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H25N3O4S/c1-15(2)17-6-8-18(9-7-17)21(28)27-23-20(12-13-32-23)22(29)25-14-16-4-10-19(11-5-16)26-24(30)31-3/h4-13,15H,14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyWJQVACLZPVXTTF-UHFFFAOYSA-N
MW451.55 g/mol
LogP5.23
Rot. Bonds7

About methyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate

methyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate (PubChem CID 55963519) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is methyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate
PubChem CID55963519
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Namemethyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H25N3O4S/c1-15(2)17-6-8-18(9-7-17)21(28)27-23-20(12-13-32-23)22(29)25-14-16-4-10-19(11-5-16)26-24(30)31-3/h4-13,15H,14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyWJQVACLZPVXTTF-UHFFFAOYSA-N
XLogP5.23
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.55
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate with MolForge

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Related Compounds

N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 55967083
4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide
CID 35018877
methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 55813579
N-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 86820089
methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate
CID 60517999
2-[(4-propan-2-ylbenzoyl)amino]-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide;hydrochloride
CID 119510040
methyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate
CID 47057995
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
N-[(1,1-dioxothiolan-3-yl)methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 60554679
methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate
CID 7167229

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate (CID 55963519) is methyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of methyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate?
The InChIKey is WJQVACLZPVXTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-15(2)17-6-8-18(9-7-17)21(28)27-23-20(12-13-32-23)22(29)25-14-16-4-10-19(11-5-16)26-24(30)31-3/h4-13,15H,14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of methyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate?
methyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate has a molecular weight of 451.55 g/mol, XLogP of 5.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate is sourced from PubChem (CID 55963519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).