N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide

C27H27N3O4S — CID 1441405

IUPACN-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide
SMILESCCOc1cc(NC(=O)N2c3ccccc3Sc3ccccc32)c(OCC)cc1NC(=O)C1CC1
InChIInChI=1S/C27H27N3O4S/c1-3-33-22-16-19(23(34-4-2)15-18(22)28-26(31)17-13-14-17)29-27(32)30-20-9-5-7-11-24(20)35-25-12-8-6-10-21(25)30/h5-12,15-17H,3-4,13-14H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyKJNFGDXZKDEOCV-UHFFFAOYSA-N
MW489.60 g/mol
LogP6.67
Rot. Bonds7

About N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide

N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide (PubChem CID 1441405) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide
PubChem CID1441405
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC NameN-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide
SMILESCCOc1cc(NC(=O)N2c3ccccc3Sc3ccccc32)c(OCC)cc1NC(=O)C1CC1
InChIInChI=1S/C27H27N3O4S/c1-3-33-22-16-19(23(34-4-2)15-18(22)28-26(31)17-13-14-17)29-27(32)30-20-9-5-7-11-24(20)35-25-12-8-6-10-21(25)30/h5-12,15-17H,3-4,13-14H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyKJNFGDXZKDEOCV-UHFFFAOYSA-N
XLogP6.67
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.60
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide
CID 1428132
N-(4-chloro-2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide
CID 22331415
N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide
CID 4194410
N-[4-(3-chloropropanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide
CID 3173030
N-(2-chlorophenyl)phenothiazine-10-carboxamide
CID 19916612
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide
CID 19207017
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326
(3-chloro-4-ethoxyphenyl)-phenothiazin-10-ylmethanone
CID 71517523
N-[4-(2-bromoacetyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82258653
methyl 2-(phenothiazine-10-carbonylamino)benzoate
CID 1045457
N-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide
CID 24663377

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide (CID 1441405) is N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide is CCOc1cc(NC(=O)N2c3ccccc3Sc3ccccc32)c(OCC)cc1NC(=O)C1CC1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide?
The InChIKey is KJNFGDXZKDEOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-3-33-22-16-19(23(34-4-2)15-18(22)28-26(31)17-13-14-17)29-27(32)30-20-9-5-7-11-24(20)35-25-12-8-6-10-21(25)30/h5-12,15-17H,3-4,13-14H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide?
N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide has a molecular weight of 489.60 g/mol, XLogP of 6.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide is sourced from PubChem (CID 1441405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).