(Z)-N-(4-aminothiophen-3-yl)-3-[4-[(4-morpholin-4-ylanilino)methyl]phenyl]prop-2-enamide

C24H26N4O2S — CID 66892465

IUPAC(Z)-N-(4-aminothiophen-3-yl)-3-[4-[(4-morpholin-4-ylanilino)methyl]phenyl]prop-2-enamide
SMILESNc1cscc1NC(=O)/C=C\c1ccc(CNc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H26N4O2S/c25-22-16-31-17-23(22)27-24(29)10-5-18-1-3-19(4-2-18)15-26-20-6-8-21(9-7-20)28-11-13-30-14-12-28/h1-10,16-17,26H,11-15,25H2,(H,27,29)/b10-5-
InChIKeyIMQIKFZBVIIUTM-YHYXMXQVSA-N
MW434.57 g/mol
LogP4.43
Rot. Bonds7

About (Z)-N-(4-aminothiophen-3-yl)-3-[4-[(4-morpholin-4-ylanilino)methyl]phenyl]prop-2-enamide

(Z)-N-(4-aminothiophen-3-yl)-3-[4-[(4-morpholin-4-ylanilino)methyl]phenyl]prop-2-enamide (PubChem CID 66892465) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is (Z)-N-(4-aminothiophen-3-yl)-3-[4-[(4-morpholin-4-ylanilino)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-aminothiophen-3-yl)-3-[4-[(4-morpholin-4-ylanilino)methyl]phenyl]prop-2-enamide
PubChem CID66892465
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name(Z)-N-(4-aminothiophen-3-yl)-3-[4-[(4-morpholin-4-ylanilino)methyl]phenyl]prop-2-enamide
SMILESNc1cscc1NC(=O)/C=C\c1ccc(CNc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H26N4O2S/c25-22-16-31-17-23(22)27-24(29)10-5-18-1-3-19(4-2-18)15-26-20-6-8-21(9-7-20)28-11-13-30-14-12-28/h1-10,16-17,26H,11-15,25H2,(H,27,29)/b10-5-
InChIKeyIMQIKFZBVIIUTM-YHYXMXQVSA-N
XLogP4.43
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 878244
N-(2-aminophenyl)-3-[4-[(4-bromoanilino)methyl]phenyl]prop-2-enamide
CID 66893975
1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
CID 57031748
(E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 51092491
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 91689830
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
3-(4-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)carbamothioyl]prop-2-enamide
CID 3468232
[5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol
CID 64578214
3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 1493876
(E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 60576829
(E)-3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 1107601

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-aminothiophen-3-yl)-3-[4-[(4-morpholin-4-ylanilino)methyl]phenyl]prop-2-enamide?
The IUPAC name of (Z)-N-(4-aminothiophen-3-yl)-3-[4-[(4-morpholin-4-ylanilino)methyl]phenyl]prop-2-enamide (CID 66892465) is (Z)-N-(4-aminothiophen-3-yl)-3-[4-[(4-morpholin-4-ylanilino)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-aminothiophen-3-yl)-3-[4-[(4-morpholin-4-ylanilino)methyl]phenyl]prop-2-enamide?
The canonical SMILES for (Z)-N-(4-aminothiophen-3-yl)-3-[4-[(4-morpholin-4-ylanilino)methyl]phenyl]prop-2-enamide is Nc1cscc1NC(=O)/C=C\c1ccc(CNc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of (Z)-N-(4-aminothiophen-3-yl)-3-[4-[(4-morpholin-4-ylanilino)methyl]phenyl]prop-2-enamide?
The InChIKey is IMQIKFZBVIIUTM-YHYXMXQVSA-N. The full InChI is InChI=1S/C24H26N4O2S/c25-22-16-31-17-23(22)27-24(29)10-5-18-1-3-19(4-2-18)15-26-20-6-8-21(9-7-20)28-11-13-30-14-12-28/h1-10,16-17,26H,11-15,25H2,(H,27,29)/b10-5-.
What are the key properties of (Z)-N-(4-aminothiophen-3-yl)-3-[4-[(4-morpholin-4-ylanilino)methyl]phenyl]prop-2-enamide?
(Z)-N-(4-aminothiophen-3-yl)-3-[4-[(4-morpholin-4-ylanilino)methyl]phenyl]prop-2-enamide has a molecular weight of 434.57 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-aminothiophen-3-yl)-3-[4-[(4-morpholin-4-ylanilino)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 66892465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).